USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 TYR OH : rot 40:sc= 1.26 USER MOD Set 1.2: A 88 TYR OH : rot 33:sc= 1.25 USER MOD Set 2.1: A 80 GLN :FLIP amide:sc= 1.67 F(o=2.5,f=3.4) USER MOD Set 2.2: A 84 THR OG1 : rot -68:sc= 0.796 USER MOD Set 2.3: A 100 SER OG : rot -45:sc= 0.959 USER MOD Set 3.1: A 25 THR OG1 : rot -128:sc= 0.84 USER MOD Set 3.2: A 26 LYS NZ :NH3+ -118:sc= 0.856 (180deg=-0.994) USER MOD Set 4.1: A 15 LYS NZ :NH3+ 177:sc= 0.997 (180deg=0.731) USER MOD Set 4.2: A 16 ASN : amide:sc= -2.38! C(o=-1.4!,f=-3.9!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.16) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -1.93! USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 163:sc= 0.371 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0.128 (180deg=0.128) USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= -1.16 (180deg=-3.13) USER MOD Single : A 47 TYR OH : rot -176:sc= -0.75! USER MOD Single : A 54 TYR OH : rot -141:sc= 0.903 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.494 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 129:sc= 1.49 (180deg=0.639) USER MOD Single : A 71 THR OG1 : rot -28:sc= 0.0918 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 0.8 (180deg=0.459) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= 2.16 (180deg=1.3) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 98 THR OG1 : rot 160:sc= -0.017 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -147:sc= 1.34 USER MOD Single : A 104 THR OG1 : rot 179:sc= 0.0407 USER MOD Single : A 110 LYS NZ :NH3+ 176:sc= 1.17 (180deg=1.01) USER MOD Single : A 115 ASN : amide:sc= -2.79 K(o=-2.8,f=-5.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 169:sc= -0.0476 (180deg=-0.259) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 3.063 10.438 -3.698 1.00 0.00 N ATOM 84 CA PRO A 8 4.297 9.645 -3.697 1.00 0.00 C ATOM 85 C PRO A 8 3.930 8.178 -3.781 1.00 0.00 C ATOM 86 O PRO A 8 4.454 7.413 -4.604 1.00 0.00 O ATOM 87 CB PRO A 8 4.905 9.928 -2.327 1.00 0.00 C ATOM 88 CG PRO A 8 3.820 10.523 -1.501 1.00 0.00 C ATOM 89 CD PRO A 8 2.896 11.203 -2.442 1.00 0.00 C ATOM 0 HA PRO A 8 4.968 9.883 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.281 9.012 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.749 10.612 -2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.298 9.752 -0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.227 11.230 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.866 11.172 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.157 12.253 -2.573 1.00 0.00 H new ATOM 97 N VAL A 9 2.998 7.830 -2.926 1.00 0.00 N ATOM 98 CA VAL A 9 2.398 6.557 -2.877 1.00 0.00 C ATOM 99 C VAL A 9 1.576 6.381 -4.145 1.00 0.00 C ATOM 100 O VAL A 9 0.812 7.282 -4.537 1.00 0.00 O ATOM 101 CB VAL A 9 1.530 6.414 -1.575 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.578 7.577 -1.384 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.757 5.136 -1.571 1.00 0.00 C ATOM 0 H VAL A 9 2.634 8.471 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 9 3.151 5.770 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 9 2.235 6.410 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.002 7.429 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.146 8.504 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.100 7.636 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.168 5.070 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.091 5.111 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.447 4.293 -1.620 1.00 0.00 H new ATOM 113 N THR A 10 1.771 5.282 -4.802 1.00 0.00 N ATOM 114 CA THR A 10 1.131 5.036 -6.043 1.00 0.00 C ATOM 115 C THR A 10 -0.340 4.724 -5.844 1.00 0.00 C ATOM 116 O THR A 10 -0.706 3.679 -5.311 1.00 0.00 O ATOM 117 CB THR A 10 1.845 3.896 -6.793 1.00 0.00 C ATOM 118 OG1 THR A 10 3.241 4.231 -6.901 1.00 0.00 O ATOM 119 CG2 THR A 10 1.274 3.718 -8.193 1.00 0.00 C ATOM 0 H THR A 10 2.383 4.530 -4.486 1.00 0.00 H new ATOM 0 HA THR A 10 1.195 5.939 -6.650 1.00 0.00 H new ATOM 0 HB THR A 10 1.703 2.966 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.714 3.515 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.797 2.907 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.213 3.479 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.403 4.641 -8.759 1.00 0.00 H new ATOM 127 N VAL A 11 -1.170 5.667 -6.189 1.00 0.00 N ATOM 128 CA VAL A 11 -2.568 5.440 -6.176 1.00 0.00 C ATOM 129 C VAL A 11 -2.887 4.661 -7.431 1.00 0.00 C ATOM 130 O VAL A 11 -2.751 5.157 -8.548 1.00 0.00 O ATOM 131 CB VAL A 11 -3.385 6.747 -6.116 1.00 0.00 C ATOM 132 CG1 VAL A 11 -4.877 6.444 -6.032 1.00 0.00 C ATOM 133 CG2 VAL A 11 -2.950 7.610 -4.937 1.00 0.00 C ATOM 0 H VAL A 11 -0.890 6.603 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.844 4.888 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.195 7.305 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.436 7.379 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.183 5.877 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.080 5.860 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.542 8.525 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.102 7.060 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.895 7.862 -5.041 1.00 0.00 H new ATOM 143 N VAL A 12 -3.245 3.456 -7.229 1.00 0.00 N ATOM 144 CA VAL A 12 -3.470 2.502 -8.252 1.00 0.00 C ATOM 145 C VAL A 12 -4.961 2.306 -8.357 1.00 0.00 C ATOM 146 O VAL A 12 -5.623 2.153 -7.359 1.00 0.00 O ATOM 147 CB VAL A 12 -2.818 1.157 -7.798 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.932 0.113 -8.826 1.00 0.00 C ATOM 149 CG2 VAL A 12 -1.362 1.327 -7.458 1.00 0.00 C ATOM 0 H VAL A 12 -3.400 3.081 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.052 2.823 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.368 0.850 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.465 -0.804 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.984 -0.075 -9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.431 0.443 -9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.947 0.368 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.824 1.689 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.260 2.047 -6.646 1.00 0.00 H new ATOM 159 N VAL A 13 -5.496 2.400 -9.529 1.00 0.00 N ATOM 160 CA VAL A 13 -6.889 2.063 -9.720 1.00 0.00 C ATOM 161 C VAL A 13 -7.023 0.547 -9.814 1.00 0.00 C ATOM 162 O VAL A 13 -6.007 -0.161 -9.905 1.00 0.00 O ATOM 163 CB VAL A 13 -7.509 2.730 -10.972 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.658 4.215 -10.766 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.660 2.466 -12.194 1.00 0.00 C ATOM 0 H VAL A 13 -5.004 2.704 -10.370 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.441 2.447 -8.862 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.496 2.295 -11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.095 4.664 -11.658 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.308 4.400 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.679 4.657 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.114 2.944 -13.062 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.661 2.872 -12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.592 1.392 -12.365 1.00 0.00 H new ATOM 175 N ALA A 14 -8.248 0.037 -9.835 1.00 0.00 N ATOM 176 CA ALA A 14 -8.470 -1.413 -9.885 1.00 0.00 C ATOM 177 C ALA A 14 -7.923 -1.987 -11.175 1.00 0.00 C ATOM 178 O ALA A 14 -7.552 -3.158 -11.244 1.00 0.00 O ATOM 179 CB ALA A 14 -9.933 -1.749 -9.715 1.00 0.00 C ATOM 0 H ALA A 14 -9.101 0.596 -9.819 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.932 -1.869 -9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.065 -2.830 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.282 -1.378 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.509 -1.282 -10.514 1.00 0.00 H new ATOM 185 N LYS A 15 -7.840 -1.132 -12.171 1.00 0.00 N ATOM 186 CA LYS A 15 -7.246 -1.453 -13.460 1.00 0.00 C ATOM 187 C LYS A 15 -5.784 -1.860 -13.297 1.00 0.00 C ATOM 188 O LYS A 15 -5.335 -2.835 -13.887 1.00 0.00 O ATOM 189 CB LYS A 15 -7.385 -0.220 -14.409 1.00 0.00 C ATOM 190 CG LYS A 15 -6.357 -0.084 -15.539 1.00 0.00 C ATOM 191 CD LYS A 15 -6.297 -1.258 -16.497 1.00 0.00 C ATOM 192 CE LYS A 15 -5.182 -1.056 -17.526 1.00 0.00 C ATOM 193 NZ LYS A 15 -3.841 -0.880 -16.893 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.189 -0.175 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.772 -2.301 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.378 -0.250 -14.858 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.338 0.682 -13.799 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.582 0.818 -16.108 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.370 0.056 -15.097 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.124 -2.180 -15.941 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.254 -1.368 -17.007 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.153 -1.914 -18.198 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.409 -0.182 -18.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.116 -0.798 -17.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.842 -0.017 -16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.630 -1.702 -16.292 1.00 0.00 H new ATOM 207 N ASN A 16 -5.072 -1.164 -12.452 1.00 0.00 N ATOM 208 CA ASN A 16 -3.639 -1.352 -12.391 1.00 0.00 C ATOM 209 C ASN A 16 -3.241 -2.231 -11.253 1.00 0.00 C ATOM 210 O ASN A 16 -2.113 -2.666 -11.175 1.00 0.00 O ATOM 211 CB ASN A 16 -2.918 -0.053 -12.203 1.00 0.00 C ATOM 212 CG ASN A 16 -3.309 1.044 -13.120 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.649 0.849 -14.286 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.275 2.207 -12.578 1.00 0.00 N ATOM 0 H ASN A 16 -5.448 -0.472 -11.804 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.367 -1.811 -13.342 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.076 0.283 -11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.849 -0.233 -12.318 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.539 3.030 -13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.984 2.308 -11.606 1.00 0.00 H new ATOM 221 N TYR A 17 -4.137 -2.456 -10.348 1.00 0.00 N ATOM 222 CA TYR A 17 -3.864 -3.223 -9.164 1.00 0.00 C ATOM 223 C TYR A 17 -3.216 -4.577 -9.423 1.00 0.00 C ATOM 224 O TYR A 17 -2.255 -4.940 -8.753 1.00 0.00 O ATOM 225 CB TYR A 17 -5.103 -3.277 -8.278 1.00 0.00 C ATOM 226 CG TYR A 17 -5.297 -4.579 -7.531 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.566 -4.877 -6.392 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.193 -5.527 -8.004 1.00 0.00 C ATOM 229 CE1 TYR A 17 -4.725 -6.081 -5.742 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.358 -6.731 -7.367 1.00 0.00 C ATOM 231 CZ TYR A 17 -5.628 -7.011 -6.242 1.00 0.00 C ATOM 232 OH TYR A 17 -5.806 -8.218 -5.615 1.00 0.00 O ATOM 0 H TYR A 17 -5.095 -2.110 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.087 -2.698 -8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.049 -2.464 -7.554 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.982 -3.095 -8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.861 -4.154 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.772 -5.313 -8.890 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.153 -6.300 -4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.061 -7.455 -7.751 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.790 -8.088 -4.644 1.00 0.00 H new ATOM 242 N ASN A 18 -3.654 -5.255 -10.432 1.00 0.00 N ATOM 243 CA ASN A 18 -3.128 -6.568 -10.721 1.00 0.00 C ATOM 244 C ASN A 18 -1.770 -6.481 -11.402 1.00 0.00 C ATOM 245 O ASN A 18 -1.080 -7.481 -11.528 1.00 0.00 O ATOM 246 CB ASN A 18 -4.101 -7.379 -11.586 1.00 0.00 C ATOM 247 CG ASN A 18 -4.335 -6.758 -12.955 1.00 0.00 C ATOM 248 OD1 ASN A 18 -5.216 -5.908 -13.120 1.00 0.00 O ATOM 249 ND2 ASN A 18 -3.576 -7.175 -13.936 1.00 0.00 N ATOM 0 H ASN A 18 -4.375 -4.930 -11.076 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.003 -7.082 -9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.711 -8.389 -11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.054 -7.468 -11.065 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.702 -6.796 -14.875 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.858 -7.879 -13.762 1.00 0.00 H new ATOM 256 N GLU A 19 -1.380 -5.295 -11.828 1.00 0.00 N ATOM 257 CA GLU A 19 -0.120 -5.163 -12.545 1.00 0.00 C ATOM 258 C GLU A 19 0.926 -4.518 -11.688 1.00 0.00 C ATOM 259 O GLU A 19 2.092 -4.908 -11.668 1.00 0.00 O ATOM 260 CB GLU A 19 -0.342 -4.432 -13.864 1.00 0.00 C ATOM 261 CG GLU A 19 -0.812 -3.000 -13.810 1.00 0.00 C ATOM 262 CD GLU A 19 -1.315 -2.507 -15.144 1.00 0.00 C ATOM 263 OE1 GLU A 19 -2.512 -2.691 -15.455 1.00 0.00 O1- ATOM 264 OE2 GLU A 19 -0.530 -1.940 -15.912 1.00 0.00 O ATOM 0 H GLU A 19 -1.900 -4.427 -11.697 1.00 0.00 H new ATOM 0 HA GLU A 19 0.259 -6.156 -12.786 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.595 -4.455 -14.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.070 -5.001 -14.442 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.607 -2.909 -13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.008 -2.364 -13.477 1.00 0.00 H new ATOM 271 N ILE A 20 0.481 -3.552 -11.008 1.00 0.00 N ATOM 272 CA ILE A 20 1.292 -2.750 -10.096 1.00 0.00 C ATOM 273 C ILE A 20 1.415 -3.397 -8.703 1.00 0.00 C ATOM 274 O ILE A 20 2.513 -3.671 -8.246 1.00 0.00 O ATOM 275 CB ILE A 20 0.694 -1.323 -9.929 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.541 -0.623 -11.295 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.548 -0.478 -8.977 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.835 -0.286 -11.998 1.00 0.00 C ATOM 0 H ILE A 20 -0.494 -3.255 -11.046 1.00 0.00 H new ATOM 0 HA ILE A 20 2.284 -2.690 -10.543 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.299 -1.427 -9.491 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.052 -1.263 -11.948 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.025 0.297 -11.151 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.108 0.514 -8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.586 -0.958 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.558 -0.389 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.617 0.202 -12.948 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.425 0.384 -11.373 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.398 -1.201 -12.182 1.00 0.00 H new ATOM 290 N VAL A 21 0.278 -3.654 -8.050 1.00 0.00 N ATOM 291 CA VAL A 21 0.269 -4.112 -6.655 1.00 0.00 C ATOM 292 C VAL A 21 0.502 -5.578 -6.559 1.00 0.00 C ATOM 293 O VAL A 21 1.144 -6.071 -5.650 1.00 0.00 O ATOM 294 CB VAL A 21 -1.078 -3.776 -6.003 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.122 -4.247 -4.550 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.343 -2.283 -6.111 1.00 0.00 C ATOM 0 H VAL A 21 -0.649 -3.553 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 21 1.077 -3.598 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.867 -4.308 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.089 -3.995 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.978 -5.327 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.330 -3.756 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.301 -2.049 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.550 -1.735 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.369 -1.993 -7.161 1.00 0.00 H new ATOM 306 N LEU A 22 0.038 -6.259 -7.526 1.00 0.00 N ATOM 307 CA LEU A 22 0.098 -7.668 -7.537 1.00 0.00 C ATOM 308 C LEU A 22 1.378 -8.068 -8.294 1.00 0.00 C ATOM 309 O LEU A 22 1.485 -9.158 -8.894 1.00 0.00 O ATOM 310 CB LEU A 22 -1.177 -8.149 -8.226 1.00 0.00 C ATOM 311 CG LEU A 22 -1.847 -9.447 -7.720 1.00 0.00 C ATOM 312 CD1 LEU A 22 -2.960 -9.887 -8.648 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.858 -10.572 -7.464 1.00 0.00 C ATOM 0 H LEU A 22 -0.403 -5.850 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 22 0.147 -8.118 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.913 -7.348 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.951 -8.284 -9.284 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.285 -9.207 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.412 -10.802 -8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.717 -9.105 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.553 -10.071 -9.642 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.393 -11.454 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.333 -10.812 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.138 -10.258 -6.709 1.00 0.00 H new ATOM 325 N ASP A 23 2.347 -7.185 -8.251 1.00 0.00 N ATOM 326 CA ASP A 23 3.620 -7.416 -8.885 1.00 0.00 C ATOM 327 C ASP A 23 4.583 -7.999 -7.855 1.00 0.00 C ATOM 328 O ASP A 23 4.601 -7.583 -6.717 1.00 0.00 O ATOM 329 CB ASP A 23 4.198 -6.115 -9.436 1.00 0.00 C ATOM 330 CG ASP A 23 5.370 -6.319 -10.351 1.00 0.00 C ATOM 331 OD1 ASP A 23 5.854 -7.437 -10.489 1.00 0.00 O ATOM 332 OD2 ASP A 23 5.853 -5.337 -10.934 1.00 0.00 O1- ATOM 0 H ASP A 23 2.274 -6.286 -7.775 1.00 0.00 H new ATOM 0 HA ASP A 23 3.481 -8.109 -9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.416 -5.579 -9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.504 -5.481 -8.603 1.00 0.00 H new ATOM 337 N ASP A 24 5.367 -8.954 -8.269 1.00 0.00 N ATOM 338 CA ASP A 24 6.326 -9.624 -7.407 1.00 0.00 C ATOM 339 C ASP A 24 7.739 -9.184 -7.705 1.00 0.00 C ATOM 340 O ASP A 24 8.697 -9.824 -7.279 1.00 0.00 O ATOM 341 CB ASP A 24 6.209 -11.141 -7.532 1.00 0.00 C ATOM 342 CG ASP A 24 6.359 -11.639 -8.942 1.00 0.00 C ATOM 343 OD1 ASP A 24 5.447 -11.389 -9.767 1.00 0.00 O ATOM 344 OD2 ASP A 24 7.340 -12.326 -9.248 1.00 0.00 O1- ATOM 0 H ASP A 24 5.365 -9.301 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 24 6.092 -9.340 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.969 -11.609 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.240 -11.456 -7.145 1.00 0.00 H new ATOM 349 N THR A 25 7.880 -8.093 -8.426 1.00 0.00 N ATOM 350 CA THR A 25 9.191 -7.523 -8.665 1.00 0.00 C ATOM 351 C THR A 25 9.614 -6.687 -7.449 1.00 0.00 C ATOM 352 O THR A 25 10.784 -6.303 -7.304 1.00 0.00 O ATOM 353 CB THR A 25 9.202 -6.620 -9.929 1.00 0.00 C ATOM 354 OG1 THR A 25 8.222 -5.567 -9.791 1.00 0.00 O ATOM 355 CG2 THR A 25 8.889 -7.431 -11.179 1.00 0.00 C ATOM 0 H THR A 25 7.108 -7.584 -8.856 1.00 0.00 H new ATOM 0 HA THR A 25 9.889 -8.345 -8.826 1.00 0.00 H new ATOM 0 HB THR A 25 10.198 -6.189 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.647 -5.549 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.903 -6.776 -12.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.637 -8.214 -11.302 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.903 -7.884 -11.081 1.00 0.00 H new ATOM 363 N LYS A 26 8.655 -6.422 -6.583 1.00 0.00 N ATOM 364 CA LYS A 26 8.826 -5.579 -5.425 1.00 0.00 C ATOM 365 C LYS A 26 7.718 -5.882 -4.439 1.00 0.00 C ATOM 366 O LYS A 26 6.728 -6.488 -4.823 1.00 0.00 O ATOM 367 CB LYS A 26 8.726 -4.127 -5.887 1.00 0.00 C ATOM 368 CG LYS A 26 7.526 -3.883 -6.790 1.00 0.00 C ATOM 369 CD LYS A 26 7.468 -2.473 -7.311 1.00 0.00 C ATOM 370 CE LYS A 26 6.393 -2.346 -8.371 1.00 0.00 C ATOM 371 NZ LYS A 26 6.725 -3.141 -9.575 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.712 -6.799 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 26 9.790 -5.754 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.659 -3.476 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.638 -3.855 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.563 -4.575 -7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.611 -4.100 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.263 -1.784 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.435 -2.193 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.438 -2.680 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.274 -1.298 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.824 -2.507 -10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.619 -3.649 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.965 -3.827 -9.759 1.00 0.00 H new ATOM 385 N ASP A 27 7.896 -5.498 -3.190 1.00 0.00 N ATOM 386 CA ASP A 27 6.849 -5.664 -2.192 1.00 0.00 C ATOM 387 C ASP A 27 5.899 -4.496 -2.343 1.00 0.00 C ATOM 388 O ASP A 27 6.346 -3.349 -2.417 1.00 0.00 O ATOM 389 CB ASP A 27 7.412 -5.659 -0.742 1.00 0.00 C ATOM 390 CG ASP A 27 8.356 -6.806 -0.372 1.00 0.00 C ATOM 391 OD1 ASP A 27 7.967 -7.983 -0.427 1.00 0.00 O ATOM 392 OD2 ASP A 27 9.480 -6.538 0.053 1.00 0.00 O1- ATOM 0 H ASP A 27 8.753 -5.069 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 27 6.359 -6.625 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.940 -4.718 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.571 -5.673 -0.049 1.00 0.00 H new ATOM 397 N VAL A 28 4.627 -4.748 -2.453 1.00 0.00 N ATOM 398 CA VAL A 28 3.684 -3.661 -2.580 1.00 0.00 C ATOM 399 C VAL A 28 2.685 -3.652 -1.439 1.00 0.00 C ATOM 400 O VAL A 28 1.985 -4.633 -1.184 1.00 0.00 O ATOM 401 CB VAL A 28 2.952 -3.649 -3.944 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.136 -2.383 -4.084 1.00 0.00 C ATOM 403 CG2 VAL A 28 3.931 -3.771 -5.096 1.00 0.00 C ATOM 0 H VAL A 28 4.217 -5.682 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 28 4.276 -2.747 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 28 2.286 -4.511 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.625 -2.384 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.399 -2.334 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.795 -1.517 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.386 -3.760 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.629 -2.934 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.483 -4.707 -5.007 1.00 0.00 H new ATOM 413 N LEU A 29 2.638 -2.542 -0.749 1.00 0.00 N ATOM 414 CA LEU A 29 1.730 -2.353 0.369 1.00 0.00 C ATOM 415 C LEU A 29 0.522 -1.686 -0.198 1.00 0.00 C ATOM 416 O LEU A 29 0.644 -0.580 -0.679 1.00 0.00 O ATOM 417 CB LEU A 29 2.374 -1.386 1.374 1.00 0.00 C ATOM 418 CG LEU A 29 1.892 -1.413 2.866 1.00 0.00 C ATOM 419 CD1 LEU A 29 0.462 -0.986 3.019 1.00 0.00 C ATOM 420 CD2 LEU A 29 2.080 -2.773 3.501 1.00 0.00 C ATOM 0 H LEU A 29 3.230 -1.734 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 29 1.496 -3.296 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.448 -1.574 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.227 -0.374 0.998 1.00 0.00 H new ATOM 0 HG LEU A 29 2.522 -0.691 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.182 -1.024 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.345 0.032 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.181 -1.656 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.732 -2.744 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.507 -3.516 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.136 -3.041 3.481 1.00 0.00 H new ATOM 432 N ILE A 30 -0.607 -2.327 -0.205 1.00 0.00 N ATOM 433 CA ILE A 30 -1.770 -1.658 -0.737 1.00 0.00 C ATOM 434 C ILE A 30 -2.777 -1.266 0.350 1.00 0.00 C ATOM 435 O ILE A 30 -2.961 -1.986 1.336 1.00 0.00 O ATOM 436 CB ILE A 30 -2.475 -2.464 -1.851 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.412 -1.541 -2.625 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.242 -3.659 -1.272 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.140 -2.200 -3.743 1.00 0.00 C ATOM 0 H ILE A 30 -0.754 -3.277 0.136 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.384 -0.742 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.720 -2.862 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.140 -1.119 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.833 -0.709 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.727 -4.206 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.548 -4.319 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.997 -3.302 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.783 -1.472 -4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.422 -2.597 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.749 -3.014 -3.351 1.00 0.00 H new ATOM 451 N GLU A 31 -3.405 -0.131 0.147 1.00 0.00 N ATOM 452 CA GLU A 31 -4.441 0.381 1.012 1.00 0.00 C ATOM 453 C GLU A 31 -5.729 0.553 0.193 1.00 0.00 C ATOM 454 O GLU A 31 -5.741 1.198 -0.848 1.00 0.00 O ATOM 455 CB GLU A 31 -3.972 1.717 1.640 1.00 0.00 C ATOM 456 CG GLU A 31 -4.942 2.451 2.561 1.00 0.00 C ATOM 457 CD GLU A 31 -4.293 3.704 3.168 1.00 0.00 C ATOM 458 OE1 GLU A 31 -3.667 3.585 4.261 1.00 0.00 O ATOM 459 OE2 GLU A 31 -4.374 4.821 2.559 1.00 0.00 O1- ATOM 0 H GLU A 31 -3.203 0.478 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.645 -0.314 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.060 1.520 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.705 2.393 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.834 2.735 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.265 1.783 3.359 1.00 0.00 H new ATOM 466 N PHE A 32 -6.751 -0.106 0.609 1.00 0.00 N ATOM 467 CA PHE A 32 -8.067 0.022 0.030 1.00 0.00 C ATOM 468 C PHE A 32 -8.749 1.071 0.798 1.00 0.00 C ATOM 469 O PHE A 32 -8.882 0.914 2.008 1.00 0.00 O ATOM 470 CB PHE A 32 -8.867 -1.256 0.214 1.00 0.00 C ATOM 471 CG PHE A 32 -8.309 -2.452 -0.508 1.00 0.00 C ATOM 472 CD1 PHE A 32 -8.689 -2.712 -1.805 1.00 0.00 C ATOM 473 CD2 PHE A 32 -7.411 -3.308 0.105 1.00 0.00 C ATOM 474 CE1 PHE A 32 -8.184 -3.803 -2.482 1.00 0.00 C ATOM 475 CE2 PHE A 32 -6.902 -4.398 -0.561 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.288 -4.645 -1.857 1.00 0.00 C ATOM 0 H PHE A 32 -6.708 -0.770 1.382 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.986 0.241 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.923 -1.484 1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.887 -1.084 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.390 -2.055 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.105 -3.117 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.490 -3.997 -3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.202 -5.057 -0.068 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.890 -5.498 -2.386 1.00 0.00 H new ATOM 486 N TYR A 33 -9.187 2.111 0.148 1.00 0.00 N ATOM 487 CA TYR A 33 -9.785 3.212 0.865 1.00 0.00 C ATOM 488 C TYR A 33 -10.971 3.797 0.133 1.00 0.00 C ATOM 489 O TYR A 33 -11.412 3.288 -0.906 1.00 0.00 O ATOM 490 CB TYR A 33 -8.739 4.333 1.090 1.00 0.00 C ATOM 491 CG TYR A 33 -8.311 5.082 -0.185 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.398 4.545 -1.076 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.859 6.327 -0.491 1.00 0.00 C ATOM 494 CE1 TYR A 33 -7.044 5.231 -2.228 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.513 7.007 -1.630 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.609 6.459 -2.494 1.00 0.00 C ATOM 497 OH TYR A 33 -7.264 7.147 -3.639 1.00 0.00 O ATOM 0 H TYR A 33 -9.145 2.224 -0.865 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.133 2.815 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.147 5.054 1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.854 3.897 1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.956 3.581 -0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.575 6.767 0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.328 4.804 -2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.953 7.970 -1.843 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.755 7.994 -3.672 1.00 0.00 H new ATOM 507 N ALA A 34 -11.436 4.877 0.703 1.00 0.00 N ATOM 508 CA ALA A 34 -12.480 5.714 0.202 1.00 0.00 C ATOM 509 C ALA A 34 -12.064 7.135 0.562 1.00 0.00 C ATOM 510 O ALA A 34 -11.447 7.327 1.612 1.00 0.00 O ATOM 511 CB ALA A 34 -13.792 5.379 0.877 1.00 0.00 C ATOM 0 H ALA A 34 -11.065 5.213 1.592 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.622 5.584 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.578 6.025 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.047 4.337 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.698 5.533 1.952 1.00 0.00 H new ATOM 517 N PRO A 35 -12.410 8.151 -0.228 1.00 0.00 N ATOM 518 CA PRO A 35 -11.936 9.507 0.007 1.00 0.00 C ATOM 519 C PRO A 35 -12.803 10.198 1.019 1.00 0.00 C ATOM 520 O PRO A 35 -12.478 11.242 1.550 1.00 0.00 O ATOM 521 CB PRO A 35 -12.056 10.165 -1.356 1.00 0.00 C ATOM 522 CG PRO A 35 -13.068 9.367 -2.120 1.00 0.00 C ATOM 523 CD PRO A 35 -13.324 8.089 -1.365 1.00 0.00 C ATOM 0 HA PRO A 35 -10.922 9.546 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.372 11.204 -1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.095 10.170 -1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.992 9.934 -2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.702 9.149 -3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.362 8.022 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -13.128 7.215 -1.985 1.00 0.00 H new ATOM 531 N TRP A 36 -13.899 9.586 1.275 1.00 0.00 N ATOM 532 CA TRP A 36 -14.843 10.076 2.271 1.00 0.00 C ATOM 533 C TRP A 36 -14.636 9.406 3.612 1.00 0.00 C ATOM 534 O TRP A 36 -15.315 9.712 4.591 1.00 0.00 O ATOM 535 CB TRP A 36 -16.283 9.913 1.790 1.00 0.00 C ATOM 536 CG TRP A 36 -16.649 8.533 1.309 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.669 8.114 0.016 1.00 0.00 C ATOM 538 CD2 TRP A 36 -17.061 7.402 2.100 1.00 0.00 C ATOM 539 NE1 TRP A 36 -17.054 6.810 -0.051 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.307 6.345 1.208 1.00 0.00 C ATOM 541 CE3 TRP A 36 -17.248 7.180 3.468 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.722 5.089 1.632 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -17.660 5.932 3.888 1.00 0.00 C ATOM 544 CH2 TRP A 36 -17.895 4.902 2.972 1.00 0.00 C ATOM 0 H TRP A 36 -14.190 8.726 0.811 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.653 11.141 2.406 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -16.954 10.186 2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.461 10.621 0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.416 8.728 -0.836 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.140 6.265 -0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -17.073 7.971 4.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.901 4.291 0.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -17.803 5.747 4.942 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -18.220 3.938 3.333 1.00 0.00 H new ATOM 555 N CYS A 37 -13.665 8.544 3.655 1.00 0.00 N ATOM 556 CA CYS A 37 -13.398 7.741 4.822 1.00 0.00 C ATOM 557 C CYS A 37 -12.562 8.492 5.834 1.00 0.00 C ATOM 558 O CYS A 37 -11.410 8.837 5.559 1.00 0.00 O ATOM 559 CB CYS A 37 -12.682 6.460 4.419 1.00 0.00 C ATOM 560 SG CYS A 37 -12.285 5.337 5.765 1.00 0.00 S ATOM 0 H CYS A 37 -13.027 8.373 2.877 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.355 7.499 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.303 5.929 3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.757 6.727 3.908 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.681 4.288 5.291 1.00 0.00 H new ATOM 566 N GLY A 38 -13.131 8.715 7.005 1.00 0.00 N ATOM 567 CA GLY A 38 -12.421 9.351 8.099 1.00 0.00 C ATOM 568 C GLY A 38 -11.240 8.510 8.565 1.00 0.00 C ATOM 569 O GLY A 38 -10.240 9.041 9.056 1.00 0.00 O ATOM 0 H GLY A 38 -14.094 8.461 7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.067 10.332 7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.105 9.512 8.932 1.00 0.00 H new ATOM 573 N HIS A 39 -11.357 7.191 8.416 1.00 0.00 N ATOM 574 CA HIS A 39 -10.251 6.281 8.727 1.00 0.00 C ATOM 575 C HIS A 39 -9.112 6.493 7.736 1.00 0.00 C ATOM 576 O HIS A 39 -7.957 6.525 8.119 1.00 0.00 O ATOM 577 CB HIS A 39 -10.690 4.794 8.736 1.00 0.00 C ATOM 578 CG HIS A 39 -11.511 4.375 9.928 1.00 0.00 C ATOM 579 ND1 HIS A 39 -12.886 4.389 9.957 1.00 0.00 N ATOM 580 CD2 HIS A 39 -11.127 3.917 11.136 1.00 0.00 C ATOM 581 CE1 HIS A 39 -13.304 3.963 11.129 1.00 0.00 C ATOM 582 NE2 HIS A 39 -12.259 3.673 11.862 1.00 0.00 N ATOM 0 H HIS A 39 -12.203 6.728 8.083 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.909 6.515 9.735 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.265 4.596 7.831 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.799 4.168 8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.110 3.770 11.469 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.335 3.868 11.435 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.285 3.322 12.819 1.00 0.00 H new ATOM 591 N CYS A 40 -9.463 6.697 6.467 1.00 0.00 N ATOM 592 CA CYS A 40 -8.478 6.948 5.411 1.00 0.00 C ATOM 593 C CYS A 40 -7.767 8.264 5.651 1.00 0.00 C ATOM 594 O CYS A 40 -6.596 8.405 5.372 1.00 0.00 O ATOM 595 CB CYS A 40 -9.135 6.958 4.031 1.00 0.00 C ATOM 596 SG CYS A 40 -8.009 7.345 2.671 1.00 0.00 S ATOM 0 H CYS A 40 -10.430 6.694 6.142 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.750 6.137 5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.584 5.982 3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -9.946 7.686 4.033 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.544 6.975 1.546 1.00 0.00 H new ATOM 602 N LYS A 41 -8.479 9.205 6.216 1.00 0.00 N ATOM 603 CA LYS A 41 -7.913 10.537 6.547 1.00 0.00 C ATOM 604 C LYS A 41 -6.840 10.433 7.623 1.00 0.00 C ATOM 605 O LYS A 41 -6.015 11.319 7.793 1.00 0.00 O ATOM 606 CB LYS A 41 -9.034 11.475 6.975 1.00 0.00 C ATOM 607 CG LYS A 41 -10.077 11.599 5.901 1.00 0.00 C ATOM 608 CD LYS A 41 -9.538 12.308 4.688 1.00 0.00 C ATOM 609 CE LYS A 41 -10.423 12.026 3.534 1.00 0.00 C ATOM 610 NZ LYS A 41 -10.034 12.762 2.321 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.461 9.096 6.468 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.433 10.944 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.493 11.103 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.622 12.459 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.429 10.607 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.938 12.143 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.487 13.381 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.523 11.972 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.408 10.956 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.448 12.285 3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.698 12.539 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.057 13.784 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.072 12.484 2.040 1.00 0.00 H new ATOM 624 N ALA A 42 -6.865 9.338 8.318 1.00 0.00 N ATOM 625 CA ALA A 42 -5.890 9.036 9.358 1.00 0.00 C ATOM 626 C ALA A 42 -4.813 8.107 8.806 1.00 0.00 C ATOM 627 O ALA A 42 -3.785 7.864 9.422 1.00 0.00 O ATOM 628 CB ALA A 42 -6.589 8.367 10.495 1.00 0.00 C ATOM 0 H ALA A 42 -7.567 8.609 8.188 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.421 9.959 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.869 8.136 11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.357 9.031 10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.052 7.445 10.145 1.00 0.00 H new ATOM 634 N LEU A 43 -5.080 7.584 7.652 1.00 0.00 N ATOM 635 CA LEU A 43 -4.170 6.689 6.972 1.00 0.00 C ATOM 636 C LEU A 43 -3.332 7.431 5.945 1.00 0.00 C ATOM 637 O LEU A 43 -2.235 7.039 5.635 1.00 0.00 O ATOM 638 CB LEU A 43 -4.941 5.567 6.312 1.00 0.00 C ATOM 639 CG LEU A 43 -5.639 4.586 7.254 1.00 0.00 C ATOM 640 CD1 LEU A 43 -6.537 3.632 6.486 1.00 0.00 C ATOM 641 CD2 LEU A 43 -4.641 3.794 8.074 1.00 0.00 C ATOM 0 H LEU A 43 -5.944 7.762 7.141 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.492 6.267 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.692 6.007 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.255 5.005 5.679 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.251 5.181 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.020 2.946 7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.297 4.200 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.939 3.064 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.174 3.107 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.991 3.227 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.039 4.477 8.673 1.00 0.00 H new ATOM 653 N ALA A 44 -3.866 8.492 5.458 1.00 0.00 N ATOM 654 CA ALA A 44 -3.229 9.368 4.484 1.00 0.00 C ATOM 655 C ALA A 44 -1.895 9.987 4.982 1.00 0.00 C ATOM 656 O ALA A 44 -0.903 9.936 4.260 1.00 0.00 O ATOM 657 CB ALA A 44 -4.194 10.459 4.040 1.00 0.00 C ATOM 0 H ALA A 44 -4.799 8.806 5.725 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.970 8.740 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.703 11.105 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.074 10.004 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.497 11.050 4.904 1.00 0.00 H new ATOM 663 N PRO A 45 -1.795 10.511 6.255 1.00 0.00 N ATOM 664 CA PRO A 45 -0.567 11.184 6.719 1.00 0.00 C ATOM 665 C PRO A 45 0.544 10.217 7.036 1.00 0.00 C ATOM 666 O PRO A 45 1.623 10.596 7.499 1.00 0.00 O ATOM 667 CB PRO A 45 -1.030 11.893 7.957 1.00 0.00 C ATOM 668 CG PRO A 45 -2.075 11.016 8.527 1.00 0.00 C ATOM 669 CD PRO A 45 -2.823 10.493 7.342 1.00 0.00 C ATOM 0 HA PRO A 45 -0.142 11.842 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.209 12.039 8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.427 12.880 7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.637 10.204 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.733 11.569 9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.205 9.488 7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.679 11.121 7.097 1.00 0.00 H new ATOM 677 N LYS A 46 0.256 8.979 6.836 1.00 0.00 N ATOM 678 CA LYS A 46 1.251 7.950 6.980 1.00 0.00 C ATOM 679 C LYS A 46 1.571 7.431 5.625 1.00 0.00 C ATOM 680 O LYS A 46 2.681 7.094 5.331 1.00 0.00 O ATOM 681 CB LYS A 46 0.734 6.810 7.870 1.00 0.00 C ATOM 682 CG LYS A 46 -0.124 5.768 7.157 1.00 0.00 C ATOM 683 CD LYS A 46 -0.918 4.904 8.067 1.00 0.00 C ATOM 684 CE LYS A 46 -1.164 3.549 7.435 1.00 0.00 C ATOM 685 NZ LYS A 46 -1.871 3.648 6.121 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.669 8.642 6.569 1.00 0.00 H new ATOM 0 HA LYS A 46 2.142 8.362 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.589 6.306 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.152 7.241 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.804 6.279 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.523 5.137 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.390 4.780 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.870 5.384 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.211 3.040 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.755 2.936 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.631 2.940 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.278 4.599 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.196 3.474 5.349 1.00 0.00 H new ATOM 699 N TYR A 47 0.595 7.443 4.795 1.00 0.00 N ATOM 700 CA TYR A 47 0.680 6.829 3.545 1.00 0.00 C ATOM 701 C TYR A 47 1.394 7.667 2.555 1.00 0.00 C ATOM 702 O TYR A 47 2.257 7.178 1.846 1.00 0.00 O ATOM 703 CB TYR A 47 -0.682 6.423 3.116 1.00 0.00 C ATOM 704 CG TYR A 47 -0.685 5.067 2.605 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.342 4.047 3.437 1.00 0.00 C ATOM 706 CD2 TYR A 47 -1.025 4.788 1.331 1.00 0.00 C ATOM 707 CE1 TYR A 47 -0.336 2.768 3.016 1.00 0.00 C ATOM 708 CE2 TYR A 47 -1.024 3.507 0.876 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.677 2.493 1.717 1.00 0.00 C ATOM 710 OH TYR A 47 -0.697 1.211 1.272 1.00 0.00 O ATOM 0 H TYR A 47 -0.301 7.893 4.980 1.00 0.00 H new ATOM 0 HA TYR A 47 1.290 5.929 3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.370 6.499 3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.043 7.106 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.068 4.268 4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.301 5.591 0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.066 1.970 3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.297 3.294 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.898 1.201 0.313 1.00 0.00 H new ATOM 720 N GLU A 48 1.097 8.915 2.526 1.00 0.00 N ATOM 721 CA GLU A 48 1.816 9.783 1.681 1.00 0.00 C ATOM 722 C GLU A 48 3.165 10.174 2.292 1.00 0.00 C ATOM 723 O GLU A 48 4.039 10.654 1.609 1.00 0.00 O ATOM 724 CB GLU A 48 1.001 10.999 1.276 1.00 0.00 C ATOM 725 CG GLU A 48 -0.178 10.675 0.336 1.00 0.00 C ATOM 726 CD GLU A 48 -1.496 10.247 0.997 1.00 0.00 C ATOM 727 OE1 GLU A 48 -1.633 9.074 1.395 1.00 0.00 O ATOM 728 OE2 GLU A 48 -2.451 11.068 1.019 1.00 0.00 O1- ATOM 0 H GLU A 48 0.361 9.354 3.079 1.00 0.00 H new ATOM 0 HA GLU A 48 2.024 9.232 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.615 11.481 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.658 11.717 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.376 11.555 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.136 9.880 -0.341 1.00 0.00 H new ATOM 735 N GLU A 49 3.353 9.888 3.553 1.00 0.00 N ATOM 736 CA GLU A 49 4.567 10.260 4.232 1.00 0.00 C ATOM 737 C GLU A 49 5.571 9.129 4.087 1.00 0.00 C ATOM 738 O GLU A 49 6.681 9.318 3.607 1.00 0.00 O ATOM 739 CB GLU A 49 4.282 10.525 5.706 1.00 0.00 C ATOM 740 CG GLU A 49 5.395 11.259 6.426 1.00 0.00 C ATOM 741 CD GLU A 49 5.591 12.652 5.875 1.00 0.00 C ATOM 742 OE1 GLU A 49 4.944 13.594 6.364 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.390 12.837 4.941 1.00 0.00 O1- ATOM 0 H GLU A 49 2.676 9.395 4.135 1.00 0.00 H new ATOM 0 HA GLU A 49 4.973 11.171 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.364 11.106 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.104 9.574 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.164 11.317 7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.323 10.696 6.331 1.00 0.00 H new ATOM 750 N LEU A 50 5.134 7.936 4.435 1.00 0.00 N ATOM 751 CA LEU A 50 5.961 6.752 4.368 1.00 0.00 C ATOM 752 C LEU A 50 6.098 6.382 2.935 1.00 0.00 C ATOM 753 O LEU A 50 7.136 5.913 2.481 1.00 0.00 O ATOM 754 CB LEU A 50 5.251 5.660 5.155 1.00 0.00 C ATOM 755 CG LEU A 50 5.990 4.318 5.454 1.00 0.00 C ATOM 756 CD1 LEU A 50 5.983 3.380 4.261 1.00 0.00 C ATOM 757 CD2 LEU A 50 7.423 4.574 5.896 1.00 0.00 C ATOM 0 H LEU A 50 4.188 7.761 4.774 1.00 0.00 H new ATOM 0 HA LEU A 50 6.955 6.907 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.954 6.089 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.335 5.415 4.618 1.00 0.00 H new ATOM 0 HG LEU A 50 5.443 3.835 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.509 2.460 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.954 3.146 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.481 3.859 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.917 3.623 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.959 5.100 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.422 5.182 6.801 1.00 0.00 H new ATOM 769 N GLY A 51 5.042 6.629 2.231 1.00 0.00 N ATOM 770 CA GLY A 51 5.027 6.378 0.819 1.00 0.00 C ATOM 771 C GLY A 51 5.960 7.267 0.094 1.00 0.00 C ATOM 772 O GLY A 51 6.596 6.844 -0.851 1.00 0.00 O ATOM 0 H GLY A 51 4.173 7.006 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.296 5.338 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.017 6.520 0.435 1.00 0.00 H new ATOM 776 N ALA A 52 6.033 8.510 0.531 1.00 0.00 N ATOM 777 CA ALA A 52 7.016 9.434 0.024 1.00 0.00 C ATOM 778 C ALA A 52 8.377 8.869 0.264 1.00 0.00 C ATOM 779 O ALA A 52 9.136 8.642 -0.676 1.00 0.00 O ATOM 780 CB ALA A 52 6.866 10.785 0.695 1.00 0.00 C ATOM 0 H ALA A 52 5.415 8.901 1.242 1.00 0.00 H new ATOM 0 HA ALA A 52 6.870 9.578 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.615 11.472 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.870 11.181 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.004 10.674 1.771 1.00 0.00 H new ATOM 786 N LEU A 53 8.622 8.519 1.508 1.00 0.00 N ATOM 787 CA LEU A 53 9.917 7.999 1.925 1.00 0.00 C ATOM 788 C LEU A 53 10.333 6.813 1.093 1.00 0.00 C ATOM 789 O LEU A 53 11.480 6.725 0.650 1.00 0.00 O ATOM 790 CB LEU A 53 9.908 7.622 3.400 1.00 0.00 C ATOM 791 CG LEU A 53 9.717 8.769 4.375 1.00 0.00 C ATOM 792 CD1 LEU A 53 9.604 8.238 5.792 1.00 0.00 C ATOM 793 CD2 LEU A 53 10.879 9.746 4.262 1.00 0.00 C ATOM 0 H LEU A 53 7.936 8.584 2.260 1.00 0.00 H new ATOM 0 HA LEU A 53 10.645 8.796 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.113 6.894 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.849 7.124 3.634 1.00 0.00 H new ATOM 0 HG LEU A 53 8.794 9.295 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.467 9.070 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.750 7.565 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.514 7.697 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.734 10.566 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.811 9.231 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.924 10.142 3.247 1.00 0.00 H new ATOM 805 N TYR A 54 9.407 5.935 0.831 1.00 0.00 N ATOM 806 CA TYR A 54 9.733 4.774 0.074 1.00 0.00 C ATOM 807 C TYR A 54 9.862 5.079 -1.407 1.00 0.00 C ATOM 808 O TYR A 54 10.857 4.762 -1.994 1.00 0.00 O ATOM 809 CB TYR A 54 8.818 3.576 0.410 1.00 0.00 C ATOM 810 CG TYR A 54 9.149 2.921 1.772 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.748 3.650 2.797 1.00 0.00 C ATOM 812 CD2 TYR A 54 8.870 1.581 2.020 1.00 0.00 C ATOM 813 CE1 TYR A 54 10.062 3.077 4.009 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.182 0.992 3.248 1.00 0.00 C ATOM 815 CZ TYR A 54 9.781 1.751 4.238 1.00 0.00 C ATOM 816 OH TYR A 54 10.099 1.186 5.473 1.00 0.00 O ATOM 0 H TYR A 54 8.434 6.004 1.129 1.00 0.00 H new ATOM 0 HA TYR A 54 10.727 4.449 0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.780 3.910 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.906 2.827 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.972 4.694 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.404 0.985 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.530 3.670 4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.957 -0.050 3.424 1.00 0.00 H new ATOM 0 HH TYR A 54 10.430 0.273 5.340 1.00 0.00 H new ATOM 826 N ALA A 55 8.927 5.817 -1.960 1.00 0.00 N ATOM 827 CA ALA A 55 8.927 6.128 -3.396 1.00 0.00 C ATOM 828 C ALA A 55 9.770 7.384 -3.740 1.00 0.00 C ATOM 829 O ALA A 55 9.641 7.954 -4.831 1.00 0.00 O ATOM 830 CB ALA A 55 7.500 6.290 -3.894 1.00 0.00 C ATOM 0 H ALA A 55 8.146 6.222 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 55 9.398 5.288 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.510 6.520 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.949 5.364 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.015 7.102 -3.352 1.00 0.00 H new ATOM 836 N LYS A 56 10.634 7.783 -2.839 1.00 0.00 N ATOM 837 CA LYS A 56 11.514 8.928 -3.059 1.00 0.00 C ATOM 838 C LYS A 56 12.949 8.523 -2.756 1.00 0.00 C ATOM 839 O LYS A 56 13.873 8.960 -3.425 1.00 0.00 O ATOM 840 CB LYS A 56 11.156 10.091 -2.117 1.00 0.00 C ATOM 841 CG LYS A 56 11.540 11.485 -2.613 1.00 0.00 C ATOM 842 CD LYS A 56 10.634 11.959 -3.758 1.00 0.00 C ATOM 843 CE LYS A 56 9.172 12.106 -3.305 1.00 0.00 C ATOM 844 NZ LYS A 56 8.293 12.591 -4.391 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.755 7.332 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 56 11.398 9.245 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.081 10.072 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.642 9.920 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.480 12.193 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.576 11.477 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.996 12.915 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.689 11.249 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.806 11.143 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.122 12.798 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.318 12.674 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.624 13.522 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.318 11.919 -5.184 1.00 0.00 H new ATOM 858 N SER A 57 13.117 7.677 -1.754 1.00 0.00 N ATOM 859 CA SER A 57 14.433 7.300 -1.280 1.00 0.00 C ATOM 860 C SER A 57 14.807 5.918 -1.847 1.00 0.00 C ATOM 861 O SER A 57 14.263 5.504 -2.853 1.00 0.00 O ATOM 862 CB SER A 57 14.434 7.311 0.270 1.00 0.00 C ATOM 863 OG SER A 57 15.740 7.130 0.820 1.00 0.00 O ATOM 0 H SER A 57 12.348 7.235 -1.250 1.00 0.00 H new ATOM 0 HA SER A 57 15.184 8.011 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.023 8.257 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.777 6.522 0.636 1.00 0.00 H new ATOM 0 HG SER A 57 15.688 7.146 1.798 1.00 0.00 H new ATOM 869 N GLU A 58 15.694 5.209 -1.165 1.00 0.00 N ATOM 870 CA GLU A 58 16.278 3.915 -1.604 1.00 0.00 C ATOM 871 C GLU A 58 15.251 2.797 -1.897 1.00 0.00 C ATOM 872 O GLU A 58 15.634 1.699 -2.286 1.00 0.00 O ATOM 873 CB GLU A 58 17.223 3.377 -0.537 1.00 0.00 C ATOM 874 CG GLU A 58 18.230 4.365 -0.014 1.00 0.00 C ATOM 875 CD GLU A 58 19.253 3.697 0.869 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.904 3.231 1.974 1.00 0.00 O ATOM 877 OE2 GLU A 58 20.430 3.600 0.463 1.00 0.00 O1- ATOM 0 H GLU A 58 16.050 5.514 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 58 16.785 4.153 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.629 3.011 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.758 2.520 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.732 4.852 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.717 5.146 0.548 1.00 0.00 H new ATOM 884 N PHE A 59 13.989 3.050 -1.742 1.00 0.00 N ATOM 885 CA PHE A 59 13.029 1.991 -1.896 1.00 0.00 C ATOM 886 C PHE A 59 12.172 2.265 -3.083 1.00 0.00 C ATOM 887 O PHE A 59 11.280 1.510 -3.378 1.00 0.00 O ATOM 888 CB PHE A 59 12.113 1.873 -0.701 1.00 0.00 C ATOM 889 CG PHE A 59 12.789 1.887 0.652 1.00 0.00 C ATOM 890 CD1 PHE A 59 13.050 3.085 1.304 1.00 0.00 C ATOM 891 CD2 PHE A 59 13.145 0.703 1.274 1.00 0.00 C ATOM 892 CE1 PHE A 59 13.653 3.099 2.544 1.00 0.00 C ATOM 893 CE2 PHE A 59 13.751 0.712 2.517 1.00 0.00 C ATOM 894 CZ PHE A 59 14.003 1.911 3.152 1.00 0.00 C ATOM 0 H PHE A 59 13.599 3.964 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 59 13.594 1.065 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.395 2.692 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.545 0.947 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.777 4.018 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.947 -0.238 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.851 4.038 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.027 -0.219 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.474 1.919 4.124 1.00 0.00 H new ATOM 904 N LYS A 60 12.458 3.328 -3.790 1.00 0.00 N ATOM 905 CA LYS A 60 11.628 3.714 -4.912 1.00 0.00 C ATOM 906 C LYS A 60 11.870 2.803 -6.114 1.00 0.00 C ATOM 907 O LYS A 60 11.200 2.897 -7.152 1.00 0.00 O ATOM 908 CB LYS A 60 11.817 5.193 -5.238 1.00 0.00 C ATOM 909 CG LYS A 60 13.214 5.575 -5.595 1.00 0.00 C ATOM 910 CD LYS A 60 13.307 6.985 -6.144 1.00 0.00 C ATOM 911 CE LYS A 60 14.748 7.357 -6.446 1.00 0.00 C ATOM 912 NZ LYS A 60 14.863 8.698 -7.062 1.00 0.00 N1+ ATOM 0 H LYS A 60 13.254 3.941 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 60 10.582 3.584 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.159 5.456 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.500 5.785 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.848 5.490 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.601 4.874 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.709 7.066 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.889 7.688 -5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.329 7.332 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.181 6.613 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.864 8.909 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.331 8.716 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.475 9.412 -6.413 1.00 0.00 H new ATOM 926 N ASP A 61 12.846 1.952 -5.962 1.00 0.00 N ATOM 927 CA ASP A 61 13.145 0.890 -6.914 1.00 0.00 C ATOM 928 C ASP A 61 12.782 -0.440 -6.277 1.00 0.00 C ATOM 929 O ASP A 61 12.870 -1.505 -6.915 1.00 0.00 O ATOM 930 CB ASP A 61 14.647 0.869 -7.290 1.00 0.00 C ATOM 931 CG ASP A 61 15.099 2.046 -8.128 1.00 0.00 C ATOM 932 OD1 ASP A 61 15.024 3.198 -7.663 1.00 0.00 O1- ATOM 933 OD2 ASP A 61 15.539 1.845 -9.287 1.00 0.00 O ATOM 0 H ASP A 61 13.476 1.968 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 61 12.569 1.066 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.238 0.842 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.860 -0.051 -7.834 1.00 0.00 H new ATOM 938 N ARG A 62 12.338 -0.378 -5.033 1.00 0.00 N ATOM 939 CA ARG A 62 12.083 -1.551 -4.260 1.00 0.00 C ATOM 940 C ARG A 62 10.585 -1.561 -3.919 1.00 0.00 C ATOM 941 O ARG A 62 9.757 -1.408 -4.811 1.00 0.00 O ATOM 942 CB ARG A 62 12.951 -1.459 -2.996 1.00 0.00 C ATOM 943 CG ARG A 62 13.288 -2.791 -2.357 1.00 0.00 C ATOM 944 CD ARG A 62 14.157 -2.596 -1.125 1.00 0.00 C ATOM 945 NE ARG A 62 15.371 -1.804 -1.406 1.00 0.00 N ATOM 946 CZ ARG A 62 16.155 -1.239 -0.460 1.00 0.00 C ATOM 947 NH1 ARG A 62 15.933 -1.478 0.834 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 17.174 -0.468 -0.807 1.00 0.00 N ATOM 0 H ARG A 62 12.148 0.496 -4.542 1.00 0.00 H new ATOM 0 HA ARG A 62 12.327 -2.472 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.880 -0.947 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.435 -0.840 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.370 -3.309 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.807 -3.424 -3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.575 -2.099 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.446 -3.570 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 62 15.637 -1.674 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.168 -2.091 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.529 -1.048 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.372 -0.297 -1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.761 -0.045 -0.088 1.00 0.00 H new ATOM 962 N VAL A 63 10.260 -1.756 -2.650 1.00 0.00 N ATOM 963 CA VAL A 63 8.890 -1.724 -2.155 1.00 0.00 C ATOM 964 C VAL A 63 8.173 -0.430 -2.534 1.00 0.00 C ATOM 965 O VAL A 63 8.673 0.676 -2.315 1.00 0.00 O ATOM 966 CB VAL A 63 8.851 -1.902 -0.608 1.00 0.00 C ATOM 967 CG1 VAL A 63 9.879 -1.024 0.038 1.00 0.00 C ATOM 968 CG2 VAL A 63 7.467 -1.568 -0.040 1.00 0.00 C ATOM 0 H VAL A 63 10.950 -1.944 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 63 8.369 -2.556 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 63 9.069 -2.947 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.843 -1.156 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.870 -1.294 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.673 0.018 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.475 -1.703 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.217 -0.533 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.723 -2.230 -0.482 1.00 0.00 H new ATOM 978 N VAL A 64 7.011 -0.581 -3.066 1.00 0.00 N ATOM 979 CA VAL A 64 6.219 0.539 -3.438 1.00 0.00 C ATOM 980 C VAL A 64 4.981 0.567 -2.587 1.00 0.00 C ATOM 981 O VAL A 64 4.297 -0.453 -2.421 1.00 0.00 O ATOM 982 CB VAL A 64 5.862 0.519 -4.951 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.882 1.632 -5.312 1.00 0.00 C ATOM 984 CG2 VAL A 64 7.128 0.673 -5.770 1.00 0.00 C ATOM 0 H VAL A 64 6.582 -1.486 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 64 6.796 1.448 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 64 5.384 -0.435 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.656 1.586 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.962 1.507 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.327 2.599 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.879 0.659 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.609 1.619 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.808 -0.149 -5.546 1.00 0.00 H new ATOM 994 N ILE A 65 4.722 1.694 -1.986 1.00 0.00 N ATOM 995 CA ILE A 65 3.549 1.846 -1.220 1.00 0.00 C ATOM 996 C ILE A 65 2.466 2.242 -2.206 1.00 0.00 C ATOM 997 O ILE A 65 2.652 3.196 -2.975 1.00 0.00 O ATOM 998 CB ILE A 65 3.755 2.938 -0.132 1.00 0.00 C ATOM 999 CG1 ILE A 65 5.032 2.650 0.687 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.560 3.017 0.793 1.00 0.00 C ATOM 1001 CD1 ILE A 65 5.044 1.302 1.388 1.00 0.00 C ATOM 0 H ILE A 65 5.322 2.518 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 65 3.280 0.931 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 65 3.864 3.897 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.894 2.707 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.153 3.434 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.731 3.789 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.669 3.264 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.418 2.056 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.978 1.186 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.205 1.245 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.958 0.506 0.648 1.00 0.00 H new ATOM 1013 N ALA A 66 1.404 1.484 -2.256 1.00 0.00 N ATOM 1014 CA ALA A 66 0.327 1.742 -3.220 1.00 0.00 C ATOM 1015 C ALA A 66 -1.058 1.740 -2.564 1.00 0.00 C ATOM 1016 O ALA A 66 -1.221 1.259 -1.451 1.00 0.00 O ATOM 1017 CB ALA A 66 0.381 0.703 -4.331 1.00 0.00 C ATOM 0 H ALA A 66 1.246 0.680 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 66 0.483 2.739 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.418 0.894 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.344 0.762 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.256 -0.292 -3.905 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.060 2.284 -3.247 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.404 2.262 -2.730 1.00 0.00 C ATOM 1025 C LYS A 67 -4.419 2.402 -3.798 1.00 0.00 C ATOM 1026 O LYS A 67 -4.222 3.134 -4.746 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.654 3.246 -1.586 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.383 4.720 -1.801 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.811 5.434 -0.526 1.00 0.00 C ATOM 1030 CE LYS A 67 -3.322 6.853 -0.411 1.00 0.00 C ATOM 1031 NZ LYS A 67 -3.650 7.400 0.932 1.00 0.00 N1+ ATOM 0 H LYS A 67 -1.958 2.740 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.515 1.270 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.698 3.145 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.050 2.923 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.327 4.893 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.940 5.095 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.900 5.433 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.449 4.868 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.245 6.889 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.782 7.468 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.795 7.812 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.379 8.135 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.005 6.635 1.541 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.499 1.715 -3.628 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.550 1.683 -4.594 1.00 0.00 C ATOM 1047 C VAL A 68 -7.823 2.166 -3.940 1.00 0.00 C ATOM 1048 O VAL A 68 -8.058 1.931 -2.742 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.753 0.235 -5.178 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.137 -0.724 -4.078 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.825 0.215 -6.267 1.00 0.00 C ATOM 0 H VAL A 68 -5.681 1.149 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.284 2.334 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.807 -0.075 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.274 -1.721 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.348 -0.751 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.067 -0.394 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.938 -0.800 -6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.773 0.555 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.529 0.876 -7.081 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.621 2.859 -4.682 1.00 0.00 N ATOM 1062 CA ASP A 69 -9.882 3.292 -4.160 1.00 0.00 C ATOM 1063 C ASP A 69 -10.839 2.159 -4.358 1.00 0.00 C ATOM 1064 O ASP A 69 -11.188 1.812 -5.499 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.393 4.548 -4.837 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.584 5.112 -4.125 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.612 4.458 -4.095 1.00 0.00 O ATOM 1068 OD2 ASP A 69 -11.499 6.236 -3.609 1.00 0.00 O1- ATOM 0 H ASP A 69 -8.429 3.138 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.775 3.550 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.599 5.294 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.659 4.323 -5.870 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.268 1.603 -3.268 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.050 0.396 -3.250 1.00 0.00 C ATOM 1075 C ALA A 70 -13.511 0.663 -3.493 1.00 0.00 C ATOM 1076 O ALA A 70 -14.323 -0.273 -3.502 1.00 0.00 O ATOM 1077 CB ALA A 70 -11.880 -0.269 -1.907 1.00 0.00 C ATOM 0 H ALA A 70 -11.082 1.982 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.697 -0.250 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.468 -1.187 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.828 -0.507 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.221 0.405 -1.121 1.00 0.00 H new ATOM 1083 N THR A 71 -13.861 1.904 -3.678 1.00 0.00 N ATOM 1084 CA THR A 71 -15.237 2.237 -3.830 1.00 0.00 C ATOM 1085 C THR A 71 -15.488 3.067 -5.110 1.00 0.00 C ATOM 1086 O THR A 71 -16.638 3.340 -5.474 1.00 0.00 O ATOM 1087 CB THR A 71 -15.741 2.938 -2.541 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.172 3.112 -2.548 1.00 0.00 O ATOM 1089 CG2 THR A 71 -15.039 4.272 -2.324 1.00 0.00 C ATOM 0 H THR A 71 -13.214 2.691 -3.726 1.00 0.00 H new ATOM 0 HA THR A 71 -15.817 1.324 -3.963 1.00 0.00 H new ATOM 0 HB THR A 71 -15.492 2.282 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.489 3.179 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.415 4.737 -1.413 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.966 4.107 -2.231 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.233 4.928 -3.173 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.420 3.463 -5.775 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.510 4.158 -7.039 1.00 0.00 C ATOM 1099 C ALA A 72 -14.217 3.174 -8.119 1.00 0.00 C ATOM 1100 O ALA A 72 -14.754 3.241 -9.227 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.513 5.302 -7.111 1.00 0.00 C ATOM 0 H ALA A 72 -13.465 3.310 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.508 4.581 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.605 5.805 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.716 6.012 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.502 4.911 -7.002 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.348 2.266 -7.797 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.978 1.230 -8.685 1.00 0.00 C ATOM 1109 C ASN A 73 -13.331 -0.082 -8.056 1.00 0.00 C ATOM 1110 O ASN A 73 -13.055 -0.305 -6.874 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.488 1.309 -9.028 1.00 0.00 C ATOM 1112 CG ASN A 73 -11.121 2.591 -9.735 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -11.120 2.655 -10.954 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.797 3.611 -8.979 1.00 0.00 N ATOM 0 H ASN A 73 -12.874 2.231 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.520 1.335 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.903 1.224 -8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.219 0.461 -9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.532 4.498 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.810 3.518 -7.963 1.00 0.00 H new ATOM 1121 N ASP A 74 -13.960 -0.929 -8.816 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.419 -2.203 -8.318 1.00 0.00 C ATOM 1123 C ASP A 74 -13.289 -3.184 -8.285 1.00 0.00 C ATOM 1124 O ASP A 74 -12.825 -3.659 -9.327 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.595 -2.748 -9.136 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.871 -1.957 -8.948 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -17.053 -0.903 -9.603 1.00 0.00 O ATOM 1128 OD2 ASP A 74 -17.741 -2.380 -8.167 1.00 0.00 O1- ATOM 0 H ASP A 74 -14.172 -0.761 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.782 -2.051 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -15.326 -2.745 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -15.774 -3.786 -8.855 1.00 0.00 H new ATOM 1133 N VAL A 75 -12.819 -3.463 -7.104 1.00 0.00 N ATOM 1134 CA VAL A 75 -11.708 -4.357 -6.940 1.00 0.00 C ATOM 1135 C VAL A 75 -12.167 -5.808 -6.848 1.00 0.00 C ATOM 1136 O VAL A 75 -13.193 -6.107 -6.241 1.00 0.00 O ATOM 1137 CB VAL A 75 -10.808 -3.995 -5.722 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.205 -2.611 -5.893 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.564 -4.090 -4.399 1.00 0.00 C ATOM 0 H VAL A 75 -13.190 -3.082 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.097 -4.239 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.003 -4.729 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.580 -2.378 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.598 -2.588 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.004 -1.873 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.896 -3.829 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.409 -3.401 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.928 -5.108 -4.260 1.00 0.00 H new ATOM 1149 N PRO A 76 -11.401 -6.727 -7.448 1.00 0.00 N ATOM 1150 CA PRO A 76 -11.713 -8.171 -7.443 1.00 0.00 C ATOM 1151 C PRO A 76 -11.140 -8.840 -6.196 1.00 0.00 C ATOM 1152 O PRO A 76 -11.203 -10.063 -6.022 1.00 0.00 O ATOM 1153 CB PRO A 76 -10.954 -8.647 -8.672 1.00 0.00 C ATOM 1154 CG PRO A 76 -9.717 -7.822 -8.629 1.00 0.00 C ATOM 1155 CD PRO A 76 -10.160 -6.450 -8.215 1.00 0.00 C ATOM 0 HA PRO A 76 -12.780 -8.393 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.732 -9.713 -8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.521 -8.481 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.997 -8.232 -7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.228 -7.799 -9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.409 -5.949 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.350 -5.809 -9.076 1.00 0.00 H new ATOM 1163 N ASP A 77 -10.542 -8.023 -5.367 1.00 0.00 N ATOM 1164 CA ASP A 77 -9.917 -8.450 -4.132 1.00 0.00 C ATOM 1165 C ASP A 77 -10.996 -8.656 -3.056 1.00 0.00 C ATOM 1166 O ASP A 77 -12.199 -8.506 -3.319 1.00 0.00 O ATOM 1167 CB ASP A 77 -8.914 -7.376 -3.663 1.00 0.00 C ATOM 1168 CG ASP A 77 -7.755 -7.920 -2.822 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -7.978 -8.661 -1.826 1.00 0.00 O1- ATOM 1170 OD2 ASP A 77 -6.605 -7.660 -3.184 1.00 0.00 O ATOM 0 H ASP A 77 -10.472 -7.019 -5.532 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.388 -9.389 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.506 -6.870 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.449 -6.626 -3.081 1.00 0.00 H new ATOM 1175 N GLU A 78 -10.558 -8.956 -1.890 1.00 0.00 N ATOM 1176 CA GLU A 78 -11.362 -9.213 -0.741 1.00 0.00 C ATOM 1177 C GLU A 78 -11.282 -8.017 0.198 1.00 0.00 C ATOM 1178 O GLU A 78 -10.189 -7.523 0.495 1.00 0.00 O ATOM 1179 CB GLU A 78 -10.780 -10.428 -0.034 1.00 0.00 C ATOM 1180 CG GLU A 78 -11.323 -10.687 1.352 1.00 0.00 C ATOM 1181 CD GLU A 78 -10.413 -11.589 2.127 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -9.194 -11.299 2.175 1.00 0.00 O ATOM 1183 OE2 GLU A 78 -10.893 -12.568 2.743 1.00 0.00 O1- ATOM 0 H GLU A 78 -9.560 -9.035 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.399 -9.387 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.963 -11.309 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.699 -10.306 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.441 -9.742 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.313 -11.138 1.280 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.411 -7.559 0.651 1.00 0.00 N ATOM 1191 CA ILE A 79 -12.458 -6.495 1.616 1.00 0.00 C ATOM 1192 C ILE A 79 -12.920 -7.086 2.954 1.00 0.00 C ATOM 1193 O ILE A 79 -13.978 -7.717 3.027 1.00 0.00 O ATOM 1194 CB ILE A 79 -13.432 -5.369 1.167 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -13.018 -4.761 -0.191 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -13.496 -4.288 2.217 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.719 -3.975 -0.161 1.00 0.00 C ATOM 0 H ILE A 79 -13.325 -7.910 0.364 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.467 -6.051 1.713 1.00 0.00 H new ATOM 0 HB ILE A 79 -14.418 -5.816 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.924 -5.565 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -13.816 -4.106 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -14.181 -3.505 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.851 -4.713 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.503 -3.863 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.507 -3.585 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.811 -3.146 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -10.905 -4.629 0.154 1.00 0.00 H new ATOM 1209 N GLN A 80 -12.142 -6.900 3.997 1.00 0.00 N ATOM 1210 CA GLN A 80 -12.475 -7.471 5.311 1.00 0.00 C ATOM 1211 C GLN A 80 -13.039 -6.420 6.282 1.00 0.00 C ATOM 1212 O GLN A 80 -12.964 -6.543 7.497 1.00 0.00 O ATOM 1213 CB GLN A 80 -11.295 -8.306 5.876 1.00 0.00 C ATOM 1214 CG GLN A 80 -9.907 -7.652 5.887 1.00 0.00 C ATOM 1215 CD GLN A 80 -9.733 -6.564 6.922 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.936 -5.334 6.540 1.00 0.00 O flip ATOM 1217 NE2 GLN A 80 -9.355 -6.838 8.054 1.00 0.00 N flip ATOM 0 H GLN A 80 -11.275 -6.363 3.976 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.295 -8.177 5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.542 -8.588 6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.228 -9.228 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.157 -8.424 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.710 -7.232 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.206 -7.811 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.189 -6.093 8.731 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.653 -5.440 5.696 1.00 0.00 N ATOM 1227 CA GLY A 81 -14.300 -4.349 6.388 1.00 0.00 C ATOM 1228 C GLY A 81 -14.886 -3.455 5.337 1.00 0.00 C ATOM 1229 O GLY A 81 -15.716 -3.906 4.536 1.00 0.00 O ATOM 0 H GLY A 81 -13.725 -5.368 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.077 -4.721 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.585 -3.804 7.004 1.00 0.00 H new ATOM 1233 N PHE A 82 -14.477 -2.225 5.303 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.753 -1.406 4.150 1.00 0.00 C ATOM 1235 C PHE A 82 -13.417 -1.055 3.500 1.00 0.00 C ATOM 1236 O PHE A 82 -13.253 -1.244 2.295 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.649 -0.178 4.398 1.00 0.00 C ATOM 1238 CG PHE A 82 -16.061 0.485 3.107 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -15.222 1.385 2.451 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -17.285 0.196 2.547 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -15.615 1.970 1.268 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -17.678 0.780 1.366 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.844 1.669 0.727 1.00 0.00 C ATOM 0 H PHE A 82 -13.956 -1.764 6.049 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.371 -1.990 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.538 -0.482 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.117 0.540 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.257 1.625 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.946 -0.500 3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.959 2.665 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.641 0.541 0.940 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.154 2.130 -0.199 1.00 0.00 H new ATOM 1253 N PRO A 83 -12.429 -0.508 4.251 1.00 0.00 N ATOM 1254 CA PRO A 83 -11.093 -0.452 3.764 1.00 0.00 C ATOM 1255 C PRO A 83 -10.348 -1.689 4.200 1.00 0.00 C ATOM 1256 O PRO A 83 -10.850 -2.489 5.007 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.487 0.770 4.448 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.594 1.366 5.254 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.513 0.216 5.532 1.00 0.00 C ATOM 0 HA PRO A 83 -11.045 -0.393 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.647 0.488 5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.108 1.482 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.220 1.808 6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.103 2.158 4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.177 -0.390 6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.528 0.542 5.759 1.00 0.00 H new ATOM 1267 N THR A 84 -9.193 -1.859 3.682 1.00 0.00 N ATOM 1268 CA THR A 84 -8.341 -2.983 4.008 1.00 0.00 C ATOM 1269 C THR A 84 -6.940 -2.630 3.551 1.00 0.00 C ATOM 1270 O THR A 84 -6.782 -1.819 2.684 1.00 0.00 O ATOM 1271 CB THR A 84 -8.827 -4.325 3.302 1.00 0.00 C ATOM 1272 OG1 THR A 84 -10.171 -4.672 3.734 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.896 -5.497 3.623 1.00 0.00 C ATOM 0 H THR A 84 -8.785 -1.218 3.002 1.00 0.00 H new ATOM 0 HA THR A 84 -8.375 -3.167 5.082 1.00 0.00 H new ATOM 0 HB THR A 84 -8.814 -4.142 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.155 -4.925 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.258 -6.396 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.889 -5.268 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.877 -5.662 4.700 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.965 -3.163 4.173 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.616 -3.007 3.755 1.00 0.00 C ATOM 1283 C ILE A 85 -4.064 -4.386 3.510 1.00 0.00 C ATOM 1284 O ILE A 85 -4.366 -5.290 4.237 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.772 -2.224 4.806 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -4.196 -0.746 4.830 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -2.273 -2.375 4.576 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -3.353 0.132 5.722 1.00 0.00 C ATOM 0 H ILE A 85 -6.077 -3.736 5.009 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.569 -2.414 2.842 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.973 -2.659 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.158 -0.353 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.234 -0.684 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.730 -1.811 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.999 -3.428 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.016 -1.994 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.722 1.157 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.410 -0.231 6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.317 0.105 5.385 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.344 -4.555 2.464 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.771 -5.831 2.128 1.00 0.00 C ATOM 1302 C LYS A 86 -1.380 -5.663 1.585 1.00 0.00 C ATOM 1303 O LYS A 86 -1.146 -4.881 0.686 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.645 -6.631 1.140 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.895 -7.265 1.752 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.622 -8.180 0.772 1.00 0.00 C ATOM 1307 CE LYS A 86 -6.805 -8.875 1.447 1.00 0.00 C ATOM 1308 NZ LYS A 86 -7.475 -9.853 0.561 1.00 0.00 N1+ ATOM 0 H LYS A 86 -3.126 -3.811 1.801 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.724 -6.408 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.951 -5.969 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.037 -7.419 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.614 -7.836 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.574 -6.478 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.975 -7.599 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.930 -8.927 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.457 -9.384 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.528 -8.124 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.155 -10.413 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.978 -9.348 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.764 -10.486 0.142 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.462 -6.378 2.141 1.00 0.00 N ATOM 1323 CA LEU A 87 0.900 -6.322 1.688 1.00 0.00 C ATOM 1324 C LEU A 87 1.115 -7.493 0.781 1.00 0.00 C ATOM 1325 O LEU A 87 0.937 -8.634 1.208 1.00 0.00 O ATOM 1326 CB LEU A 87 1.846 -6.353 2.923 1.00 0.00 C ATOM 1327 CG LEU A 87 3.437 -6.252 2.747 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.021 -7.551 2.293 1.00 0.00 C ATOM 1329 CD2 LEU A 87 3.803 -5.193 1.724 1.00 0.00 C ATOM 0 H LEU A 87 -0.626 -7.017 2.919 1.00 0.00 H new ATOM 0 HA LEU A 87 1.114 -5.405 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.544 -5.535 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.642 -7.280 3.458 1.00 0.00 H new ATOM 0 HG LEU A 87 3.842 -5.989 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.100 -7.446 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.804 -8.325 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.585 -7.831 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.887 -5.144 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.360 -5.448 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.425 -4.225 2.052 1.00 0.00 H new ATOM 1341 N TYR A 88 1.407 -7.218 -0.461 1.00 0.00 N ATOM 1342 CA TYR A 88 1.749 -8.238 -1.414 1.00 0.00 C ATOM 1343 C TYR A 88 3.246 -8.252 -1.557 1.00 0.00 C ATOM 1344 O TYR A 88 3.809 -7.405 -2.242 1.00 0.00 O ATOM 1345 CB TYR A 88 1.092 -8.016 -2.793 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.396 -8.238 -2.833 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -1.283 -7.394 -2.176 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.911 -9.311 -3.524 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.640 -7.636 -2.206 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.254 -9.552 -3.569 1.00 0.00 C ATOM 1351 CZ TYR A 88 -3.114 -8.721 -2.909 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.443 -9.005 -2.918 1.00 0.00 O ATOM 0 H TYR A 88 1.414 -6.272 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 88 1.374 -9.193 -1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.301 -6.997 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.563 -8.683 -3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.905 -6.539 -1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.238 -9.977 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.323 -6.982 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.635 -10.396 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.956 -8.171 -2.871 1.00 0.00 H new ATOM 1362 N PRO A 89 3.929 -9.139 -0.835 1.00 0.00 N ATOM 1363 CA PRO A 89 5.357 -9.235 -0.902 1.00 0.00 C ATOM 1364 C PRO A 89 5.807 -9.699 -2.217 1.00 0.00 C ATOM 1365 O PRO A 89 5.057 -10.385 -2.947 1.00 0.00 O ATOM 1366 CB PRO A 89 5.712 -10.346 0.062 1.00 0.00 C ATOM 1367 CG PRO A 89 4.458 -11.052 0.343 1.00 0.00 C ATOM 1368 CD PRO A 89 3.372 -10.084 0.121 1.00 0.00 C ATOM 0 HA PRO A 89 5.806 -8.264 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.450 -11.020 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.147 -9.945 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.346 -11.917 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.443 -11.423 1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.479 -10.570 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.083 -9.589 1.048 1.00 0.00 H new ATOM 1376 N ALA A 90 7.029 -9.447 -2.499 1.00 0.00 N ATOM 1377 CA ALA A 90 7.595 -9.992 -3.662 1.00 0.00 C ATOM 1378 C ALA A 90 7.987 -11.409 -3.327 1.00 0.00 C ATOM 1379 O ALA A 90 9.145 -11.709 -3.013 1.00 0.00 O ATOM 1380 CB ALA A 90 8.805 -9.191 -4.109 1.00 0.00 C ATOM 0 H ALA A 90 7.653 -8.867 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 90 6.883 -9.966 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.223 -9.636 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.505 -8.164 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.557 -9.197 -3.320 1.00 0.00 H new ATOM 1386 N GLY A 91 6.982 -12.251 -3.298 1.00 0.00 N ATOM 1387 CA GLY A 91 7.198 -13.647 -3.106 1.00 0.00 C ATOM 1388 C GLY A 91 6.007 -14.326 -2.496 1.00 0.00 C ATOM 1389 O GLY A 91 5.859 -15.531 -2.611 1.00 0.00 O ATOM 0 H GLY A 91 6.004 -11.982 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.428 -14.113 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.066 -13.794 -2.464 1.00 0.00 H new ATOM 1393 N ALA A 92 5.134 -13.566 -1.852 1.00 0.00 N ATOM 1394 CA ALA A 92 3.956 -14.172 -1.242 1.00 0.00 C ATOM 1395 C ALA A 92 2.704 -13.336 -1.494 1.00 0.00 C ATOM 1396 O ALA A 92 1.970 -12.977 -0.581 1.00 0.00 O ATOM 1397 CB ALA A 92 4.176 -14.431 0.246 1.00 0.00 C ATOM 0 H ALA A 92 5.212 -12.555 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 92 3.796 -15.139 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.281 -14.883 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.021 -15.107 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.383 -13.488 0.753 1.00 0.00 H new ATOM 1403 N LYS A 93 2.445 -13.081 -2.756 1.00 0.00 N ATOM 1404 CA LYS A 93 1.297 -12.276 -3.210 1.00 0.00 C ATOM 1405 C LYS A 93 0.006 -13.100 -3.126 1.00 0.00 C ATOM 1406 O LYS A 93 -1.077 -12.615 -3.408 1.00 0.00 O ATOM 1407 CB LYS A 93 1.505 -11.918 -4.668 1.00 0.00 C ATOM 1408 CG LYS A 93 2.749 -11.107 -4.957 1.00 0.00 C ATOM 1409 CD LYS A 93 2.833 -10.754 -6.426 1.00 0.00 C ATOM 1410 CE LYS A 93 2.838 -11.998 -7.300 1.00 0.00 C ATOM 1411 NZ LYS A 93 2.906 -11.670 -8.751 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.026 -13.425 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 93 1.219 -11.388 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.547 -12.839 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.636 -11.359 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.741 -10.195 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.633 -11.673 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.988 -10.121 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.738 -10.175 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.689 -12.624 -7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.938 -12.581 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.557 -12.477 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.317 -10.835 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.891 -11.468 -9.015 1.00 0.00 H new ATOM 1425 N GLY A 94 0.149 -14.338 -2.722 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.949 -15.254 -2.674 1.00 0.00 C ATOM 1427 C GLY A 94 -1.506 -15.317 -1.297 1.00 0.00 C ATOM 1428 O GLY A 94 -2.634 -15.786 -1.086 1.00 0.00 O ATOM 0 H GLY A 94 1.038 -14.735 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.724 -14.941 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.619 -16.245 -2.986 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.723 -14.821 -0.343 1.00 0.00 N ATOM 1433 CA GLN A 95 -1.136 -14.721 1.039 1.00 0.00 C ATOM 1434 C GLN A 95 -0.688 -13.393 1.635 1.00 0.00 C ATOM 1435 O GLN A 95 0.202 -13.341 2.496 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.670 -15.897 1.866 1.00 0.00 C ATOM 1437 CG GLN A 95 -1.320 -17.175 1.429 1.00 0.00 C ATOM 1438 CD GLN A 95 -0.884 -18.386 2.214 1.00 0.00 C ATOM 1439 OE1 GLN A 95 -0.551 -18.306 3.394 1.00 0.00 O ATOM 1440 NE2 GLN A 95 -0.881 -19.514 1.576 1.00 0.00 N ATOM 0 H GLN A 95 0.221 -14.477 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.225 -14.751 1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.413 -15.993 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.895 -15.715 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.401 -17.069 1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.100 -17.340 0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.163 -19.547 0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.596 -20.369 2.054 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.238 -12.289 1.077 1.00 0.00 N ATOM 1450 CA PRO A 96 -1.010 -10.925 1.536 1.00 0.00 C ATOM 1451 C PRO A 96 -1.195 -10.760 3.025 1.00 0.00 C ATOM 1452 O PRO A 96 -1.896 -11.551 3.670 1.00 0.00 O ATOM 1453 CB PRO A 96 -2.149 -10.185 0.899 1.00 0.00 C ATOM 1454 CG PRO A 96 -2.456 -10.907 -0.344 1.00 0.00 C ATOM 1455 CD PRO A 96 -2.083 -12.301 -0.123 1.00 0.00 C ATOM 0 HA PRO A 96 0.002 -10.600 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.016 -10.159 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.875 -9.150 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.515 -10.824 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.901 -10.486 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.964 -12.926 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.544 -12.705 -0.980 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.646 -9.712 3.583 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.857 -9.497 4.957 1.00 0.00 C ATOM 1465 C VAL A 97 -1.993 -8.529 5.063 1.00 0.00 C ATOM 1466 O VAL A 97 -1.825 -7.336 4.786 1.00 0.00 O ATOM 1467 CB VAL A 97 0.392 -8.967 5.658 1.00 0.00 C ATOM 1468 CG1 VAL A 97 0.161 -8.877 7.160 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.591 -9.852 5.335 1.00 0.00 C ATOM 0 H VAL A 97 -0.067 -9.020 3.107 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.090 -10.437 5.457 1.00 0.00 H new ATOM 0 HB VAL A 97 0.604 -7.962 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.061 -8.498 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.671 -8.202 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.072 -9.867 7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.476 -9.465 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.395 -10.869 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.761 -9.856 4.258 1.00 0.00 H new ATOM 1479 N THR A 98 -3.162 -9.076 5.289 1.00 0.00 N ATOM 1480 CA THR A 98 -4.354 -8.304 5.411 1.00 0.00 C ATOM 1481 C THR A 98 -4.406 -7.578 6.750 1.00 0.00 C ATOM 1482 O THR A 98 -4.121 -8.135 7.816 1.00 0.00 O ATOM 1483 CB THR A 98 -5.640 -9.142 5.140 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.802 -8.306 5.147 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.821 -10.270 6.142 1.00 0.00 C ATOM 0 H THR A 98 -3.304 -10.081 5.393 1.00 0.00 H new ATOM 0 HA THR A 98 -4.325 -7.544 4.630 1.00 0.00 H new ATOM 0 HB THR A 98 -5.515 -9.588 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.532 -8.757 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.731 -10.822 5.908 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.965 -10.943 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.897 -9.855 7.147 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.728 -6.345 6.650 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.769 -5.405 7.712 1.00 0.00 C ATOM 1495 C TYR A 99 -5.971 -4.486 7.515 1.00 0.00 C ATOM 1496 O TYR A 99 -6.597 -4.509 6.463 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.501 -4.580 7.591 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.493 -4.789 8.685 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -1.663 -5.906 8.685 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -2.360 -3.872 9.716 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -0.733 -6.097 9.689 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -1.433 -4.054 10.720 1.00 0.00 C ATOM 1503 CZ TYR A 99 -0.622 -5.166 10.704 1.00 0.00 C ATOM 1504 OH TYR A 99 0.301 -5.357 11.715 1.00 0.00 O ATOM 0 H TYR A 99 -4.991 -5.931 5.756 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.847 -5.895 8.683 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.028 -4.808 6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.774 -3.525 7.568 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.747 -6.633 7.890 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.995 -2.998 9.733 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.096 -6.969 9.680 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.344 -3.328 11.515 1.00 0.00 H new ATOM 0 HH TYR A 99 0.252 -4.611 12.348 1.00 0.00 H new ATOM 1514 N SER A 100 -6.300 -3.710 8.510 1.00 0.00 N ATOM 1515 CA SER A 100 -7.320 -2.688 8.369 1.00 0.00 C ATOM 1516 C SER A 100 -6.712 -1.294 8.542 1.00 0.00 C ATOM 1517 O SER A 100 -7.302 -0.289 8.145 1.00 0.00 O ATOM 1518 CB SER A 100 -8.463 -2.915 9.352 1.00 0.00 C ATOM 1519 OG SER A 100 -9.117 -4.152 9.094 1.00 0.00 O ATOM 0 H SER A 100 -5.878 -3.761 9.437 1.00 0.00 H new ATOM 0 HA SER A 100 -7.733 -2.756 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.078 -2.909 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.180 -2.097 9.277 1.00 0.00 H new ATOM 0 HG SER A 100 -9.267 -4.248 8.130 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.539 -1.236 9.149 1.00 0.00 N ATOM 1526 CA GLY A 101 -4.853 0.015 9.287 1.00 0.00 C ATOM 1527 C GLY A 101 -4.421 0.293 10.700 1.00 0.00 C ATOM 1528 O GLY A 101 -5.246 0.460 11.581 1.00 0.00 O ATOM 0 H GLY A 101 -5.054 -2.040 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.977 0.017 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.504 0.820 8.946 1.00 0.00 H new ATOM 1532 N SER A 102 -3.125 0.346 10.909 1.00 0.00 N ATOM 1533 CA SER A 102 -2.544 0.653 12.198 1.00 0.00 C ATOM 1534 C SER A 102 -2.467 2.162 12.431 1.00 0.00 C ATOM 1535 O SER A 102 -2.155 2.617 13.526 1.00 0.00 O ATOM 1536 CB SER A 102 -1.175 0.055 12.212 1.00 0.00 C ATOM 1537 OG SER A 102 -0.589 0.194 10.913 1.00 0.00 O ATOM 0 H SER A 102 -2.434 0.175 10.178 1.00 0.00 H new ATOM 0 HA SER A 102 -3.163 0.243 12.996 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.556 0.552 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.227 -0.998 12.490 1.00 0.00 H new ATOM 0 HG SER A 102 -0.002 -0.571 10.735 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.717 2.920 11.360 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.735 4.403 11.374 1.00 0.00 C ATOM 1545 C ARG A 103 -1.377 5.009 11.663 1.00 0.00 C ATOM 1546 O ARG A 103 -1.277 6.184 11.960 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.777 4.960 12.360 1.00 0.00 C ATOM 1548 CG ARG A 103 -5.221 4.639 12.033 1.00 0.00 C ATOM 1549 CD ARG A 103 -6.153 5.138 13.133 1.00 0.00 C ATOM 1550 NE ARG A 103 -5.994 6.580 13.390 1.00 0.00 N ATOM 1551 CZ ARG A 103 -6.882 7.367 14.020 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -7.974 6.858 14.569 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -6.639 8.658 14.139 1.00 0.00 N ATOM 0 H ARG A 103 -2.917 2.525 10.441 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.020 4.696 10.363 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.553 4.574 13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.665 6.043 12.406 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.494 5.099 11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.340 3.562 11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.186 4.933 12.851 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.957 4.584 14.051 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.134 7.019 13.061 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.151 5.855 14.517 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.638 7.469 15.044 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.781 9.053 13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.309 9.261 14.616 1.00 0.00 H new ATOM 1567 N THR A 104 -0.345 4.249 11.502 1.00 0.00 N ATOM 1568 CA THR A 104 0.948 4.752 11.814 1.00 0.00 C ATOM 1569 C THR A 104 1.997 4.344 10.774 1.00 0.00 C ATOM 1570 O THR A 104 1.868 3.314 10.096 1.00 0.00 O ATOM 1571 CB THR A 104 1.379 4.377 13.267 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.646 4.960 13.585 1.00 0.00 O ATOM 1573 CG2 THR A 104 1.465 2.881 13.450 1.00 0.00 C ATOM 0 H THR A 104 -0.371 3.288 11.160 1.00 0.00 H new ATOM 0 HA THR A 104 0.883 5.839 11.773 1.00 0.00 H new ATOM 0 HB THR A 104 0.616 4.770 13.939 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.892 4.726 14.504 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.768 2.656 14.473 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.491 2.434 13.253 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.199 2.471 12.756 1.00 0.00 H new ATOM 1581 N VAL A 105 2.994 5.196 10.637 1.00 0.00 N ATOM 1582 CA VAL A 105 4.127 5.031 9.746 1.00 0.00 C ATOM 1583 C VAL A 105 5.064 3.970 10.302 1.00 0.00 C ATOM 1584 O VAL A 105 5.657 3.196 9.566 1.00 0.00 O ATOM 1585 CB VAL A 105 4.905 6.374 9.656 1.00 0.00 C ATOM 1586 CG1 VAL A 105 6.145 6.244 8.799 1.00 0.00 C ATOM 1587 CG2 VAL A 105 4.008 7.477 9.131 1.00 0.00 C ATOM 0 H VAL A 105 3.039 6.065 11.170 1.00 0.00 H new ATOM 0 HA VAL A 105 3.768 4.732 8.761 1.00 0.00 H new ATOM 0 HB VAL A 105 5.227 6.636 10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.662 7.203 8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.807 5.492 9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.860 5.944 7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.571 8.409 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.648 7.211 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.159 7.606 9.802 1.00 0.00 H new ATOM 1597 N GLU A 106 5.128 3.928 11.610 1.00 0.00 N ATOM 1598 CA GLU A 106 6.028 3.042 12.371 1.00 0.00 C ATOM 1599 C GLU A 106 5.762 1.626 12.018 1.00 0.00 C ATOM 1600 O GLU A 106 6.667 0.818 11.744 1.00 0.00 O ATOM 1601 CB GLU A 106 5.694 3.163 13.825 1.00 0.00 C ATOM 1602 CG GLU A 106 5.641 4.550 14.305 1.00 0.00 C ATOM 1603 CD GLU A 106 5.260 4.608 15.742 1.00 0.00 C ATOM 1604 OE1 GLU A 106 6.138 4.407 16.609 1.00 0.00 O1- ATOM 1605 OE2 GLU A 106 4.055 4.806 16.027 1.00 0.00 O ATOM 0 H GLU A 106 4.548 4.517 12.207 1.00 0.00 H new ATOM 0 HA GLU A 106 7.059 3.320 12.150 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.731 2.687 14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.436 2.615 14.406 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.613 5.024 14.164 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.922 5.115 13.712 1.00 0.00 H new ATOM 1612 N ASP A 107 4.506 1.359 12.004 1.00 0.00 N ATOM 1613 CA ASP A 107 3.990 0.030 11.787 1.00 0.00 C ATOM 1614 C ASP A 107 4.144 -0.341 10.349 1.00 0.00 C ATOM 1615 O ASP A 107 4.337 -1.479 10.034 1.00 0.00 O ATOM 1616 CB ASP A 107 2.539 -0.065 12.223 1.00 0.00 C ATOM 1617 CG ASP A 107 1.984 -1.465 12.177 1.00 0.00 C ATOM 1618 OD1 ASP A 107 2.282 -2.258 13.114 1.00 0.00 O1- ATOM 1619 OD2 ASP A 107 1.226 -1.774 11.257 1.00 0.00 O ATOM 0 H ASP A 107 3.782 2.064 12.145 1.00 0.00 H new ATOM 0 HA ASP A 107 4.561 -0.674 12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.448 0.319 13.239 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.934 0.578 11.584 1.00 0.00 H new ATOM 1624 N LEU A 108 4.140 0.665 9.495 1.00 0.00 N ATOM 1625 CA LEU A 108 4.334 0.479 8.063 1.00 0.00 C ATOM 1626 C LEU A 108 5.725 0.073 7.740 1.00 0.00 C ATOM 1627 O LEU A 108 5.938 -0.796 6.918 1.00 0.00 O ATOM 1628 CB LEU A 108 3.980 1.715 7.291 1.00 0.00 C ATOM 1629 CG LEU A 108 2.523 1.871 6.950 1.00 0.00 C ATOM 1630 CD1 LEU A 108 2.291 3.214 6.281 1.00 0.00 C ATOM 1631 CD2 LEU A 108 2.075 0.727 6.033 1.00 0.00 C ATOM 0 H LEU A 108 4.002 1.637 9.772 1.00 0.00 H new ATOM 0 HA LEU A 108 3.661 -0.325 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.295 2.585 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.555 1.721 6.365 1.00 0.00 H new ATOM 0 HG LEU A 108 1.933 1.832 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.234 3.321 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.590 4.014 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.882 3.272 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.019 0.847 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.662 0.745 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.225 -0.226 6.540 1.00 0.00 H new ATOM 1643 N ILE A 109 6.663 0.710 8.368 1.00 0.00 N ATOM 1644 CA ILE A 109 8.049 0.345 8.227 1.00 0.00 C ATOM 1645 C ILE A 109 8.195 -1.142 8.607 1.00 0.00 C ATOM 1646 O ILE A 109 8.558 -1.978 7.777 1.00 0.00 O ATOM 1647 CB ILE A 109 8.876 1.229 9.170 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.687 2.699 8.779 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.357 0.838 9.135 1.00 0.00 C ATOM 1650 CD1 ILE A 109 9.058 3.686 9.857 1.00 0.00 C ATOM 0 H ILE A 109 6.496 1.498 8.994 1.00 0.00 H new ATOM 0 HA ILE A 109 8.399 0.489 7.205 1.00 0.00 H new ATOM 0 HB ILE A 109 8.527 1.083 10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.287 2.906 7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.645 2.857 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.919 1.481 9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.466 -0.201 9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.741 0.956 8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.893 4.700 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.441 3.511 10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.109 3.561 10.119 1.00 0.00 H new ATOM 1662 N LYS A 110 7.699 -1.464 9.806 1.00 0.00 N ATOM 1663 CA LYS A 110 7.760 -2.800 10.383 1.00 0.00 C ATOM 1664 C LYS A 110 7.018 -3.761 9.476 1.00 0.00 C ATOM 1665 O LYS A 110 7.381 -4.909 9.338 1.00 0.00 O ATOM 1666 CB LYS A 110 7.116 -2.743 11.811 1.00 0.00 C ATOM 1667 CG LYS A 110 7.027 -4.059 12.637 1.00 0.00 C ATOM 1668 CD LYS A 110 5.972 -5.066 12.124 1.00 0.00 C ATOM 1669 CE LYS A 110 4.546 -4.496 12.122 1.00 0.00 C ATOM 1670 NZ LYS A 110 4.041 -4.205 13.474 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.236 -0.786 10.410 1.00 0.00 H new ATOM 0 HA LYS A 110 8.789 -3.149 10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.679 -2.019 12.400 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.105 -2.350 11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.004 -4.542 12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.799 -3.808 13.673 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.235 -5.375 11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.999 -5.960 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.527 -3.582 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.877 -5.206 11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.103 -3.761 13.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.966 -5.090 14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.696 -3.558 13.958 1.00 0.00 H new ATOM 1684 N PHE A 111 6.003 -3.250 8.853 1.00 0.00 N ATOM 1685 CA PHE A 111 5.127 -3.989 8.018 1.00 0.00 C ATOM 1686 C PHE A 111 5.893 -4.591 6.896 1.00 0.00 C ATOM 1687 O PHE A 111 6.183 -5.749 6.935 1.00 0.00 O ATOM 1688 CB PHE A 111 4.104 -3.080 7.473 1.00 0.00 C ATOM 1689 CG PHE A 111 2.771 -3.655 7.122 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.657 -4.857 6.465 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.620 -2.947 7.416 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.432 -5.348 6.112 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.388 -3.436 7.066 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.294 -4.642 6.408 1.00 0.00 C ATOM 0 H PHE A 111 5.757 -2.262 8.920 1.00 0.00 H new ATOM 0 HA PHE A 111 4.653 -4.781 8.597 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.943 -2.284 8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.514 -2.615 6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.547 -5.420 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.692 -1.998 7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.359 -6.295 5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.505 -2.878 7.305 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.673 -5.031 6.126 1.00 0.00 H new ATOM 1704 N ILE A 112 6.343 -3.788 5.961 1.00 0.00 N ATOM 1705 CA ILE A 112 7.025 -4.337 4.802 1.00 0.00 C ATOM 1706 C ILE A 112 8.404 -4.872 5.228 1.00 0.00 C ATOM 1707 O ILE A 112 9.078 -5.604 4.513 1.00 0.00 O ATOM 1708 CB ILE A 112 7.189 -3.320 3.623 1.00 0.00 C ATOM 1709 CG1 ILE A 112 5.880 -2.610 3.279 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.650 -4.046 2.396 1.00 0.00 C ATOM 1711 CD1 ILE A 112 5.664 -1.297 3.982 1.00 0.00 C ATOM 0 H ILE A 112 6.255 -2.772 5.973 1.00 0.00 H new ATOM 0 HA ILE A 112 6.396 -5.142 4.421 1.00 0.00 H new ATOM 0 HB ILE A 112 7.916 -2.575 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.849 -2.438 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.050 -3.274 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.764 -3.338 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.608 -4.527 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.914 -4.802 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.709 -0.871 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.657 -1.458 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.469 -0.609 3.723 1.00 0.00 H new ATOM 1723 N ALA A 113 8.752 -4.593 6.429 1.00 0.00 N ATOM 1724 CA ALA A 113 10.056 -5.004 6.930 1.00 0.00 C ATOM 1725 C ALA A 113 10.018 -6.391 7.488 1.00 0.00 C ATOM 1726 O ALA A 113 11.031 -7.050 7.561 1.00 0.00 O ATOM 1727 CB ALA A 113 10.602 -4.059 7.961 1.00 0.00 C ATOM 0 H ALA A 113 8.172 -4.086 7.098 1.00 0.00 H new ATOM 0 HA ALA A 113 10.726 -4.985 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.575 -4.413 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.709 -3.066 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.918 -4.010 8.808 1.00 0.00 H new ATOM 1733 N GLU A 114 8.865 -6.831 7.890 1.00 0.00 N ATOM 1734 CA GLU A 114 8.738 -8.153 8.463 1.00 0.00 C ATOM 1735 C GLU A 114 7.922 -8.994 7.556 1.00 0.00 C ATOM 1736 O GLU A 114 8.195 -10.165 7.334 1.00 0.00 O ATOM 1737 CB GLU A 114 8.037 -8.028 9.782 1.00 0.00 C ATOM 1738 CG GLU A 114 8.821 -7.258 10.808 1.00 0.00 C ATOM 1739 CD GLU A 114 9.756 -8.130 11.590 1.00 0.00 C ATOM 1740 OE1 GLU A 114 9.272 -8.912 12.441 1.00 0.00 O ATOM 1741 OE2 GLU A 114 10.986 -8.082 11.373 1.00 0.00 O1- ATOM 0 H GLU A 114 7.995 -6.302 7.836 1.00 0.00 H new ATOM 0 HA GLU A 114 9.720 -8.607 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.076 -7.538 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.828 -9.025 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.391 -6.474 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.131 -6.765 11.493 1.00 0.00 H new ATOM 1748 N ASN A 115 6.955 -8.353 7.005 1.00 0.00 N ATOM 1749 CA ASN A 115 5.983 -8.937 6.167 1.00 0.00 C ATOM 1750 C ASN A 115 6.475 -8.947 4.760 1.00 0.00 C ATOM 1751 O ASN A 115 6.097 -9.808 3.958 1.00 0.00 O ATOM 1752 CB ASN A 115 4.743 -8.085 6.271 1.00 0.00 C ATOM 1753 CG ASN A 115 4.045 -8.147 7.616 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.246 -9.020 7.879 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.336 -7.196 8.461 1.00 0.00 N ATOM 0 H ASN A 115 6.817 -7.351 7.137 1.00 0.00 H new ATOM 0 HA ASN A 115 5.775 -9.965 6.464 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.011 -7.049 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.040 -8.394 5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.886 -7.172 9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.013 -6.477 8.206 1.00 0.00 H new ATOM 1762 N GLY A 116 7.333 -7.991 4.451 1.00 0.00 N ATOM 1763 CA GLY A 116 7.864 -7.906 3.150 1.00 0.00 C ATOM 1764 C GLY A 116 8.980 -8.892 2.963 1.00 0.00 C ATOM 1765 O GLY A 116 9.597 -9.319 3.953 1.00 0.00 O ATOM 0 H GLY A 116 7.661 -7.275 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.078 -8.097 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.231 -6.896 2.968 1.00 0.00 H new ATOM 1769 N LYS A 117 9.280 -9.246 1.735 1.00 0.00 N ATOM 1770 CA LYS A 117 10.317 -10.237 1.482 1.00 0.00 C ATOM 1771 C LYS A 117 11.610 -9.536 1.397 1.00 0.00 C ATOM 1772 O LYS A 117 12.678 -10.101 1.666 1.00 0.00 O ATOM 1773 CB LYS A 117 10.071 -10.985 0.189 1.00 0.00 C ATOM 1774 CG LYS A 117 8.836 -11.883 0.202 1.00 0.00 C ATOM 1775 CD LYS A 117 8.986 -13.111 1.108 1.00 0.00 C ATOM 1776 CE LYS A 117 10.092 -14.051 0.623 1.00 0.00 C ATOM 1777 NZ LYS A 117 10.170 -15.290 1.432 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.830 -8.871 0.900 1.00 0.00 H new ATOM 0 HA LYS A 117 10.313 -10.965 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.971 -10.262 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.946 -11.595 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.976 -11.300 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.626 -12.214 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.207 -12.786 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.041 -13.652 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.913 -14.311 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.050 -13.533 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 10.933 -15.896 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.367 -15.045 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.265 -15.800 1.374 1.00 0.00 H new ATOM 1791 N TYR A 118 11.525 -8.298 1.031 1.00 0.00 N ATOM 1792 CA TYR A 118 12.651 -7.491 0.943 1.00 0.00 C ATOM 1793 C TYR A 118 13.070 -6.962 2.289 1.00 0.00 C ATOM 1794 O TYR A 118 14.215 -6.511 2.443 1.00 0.00 O ATOM 1795 CB TYR A 118 12.442 -6.389 -0.059 1.00 0.00 C ATOM 1796 CG TYR A 118 12.826 -6.792 -1.451 1.00 0.00 C ATOM 1797 CD1 TYR A 118 14.156 -6.804 -1.826 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.877 -7.189 -2.380 1.00 0.00 C ATOM 1799 CE1 TYR A 118 14.540 -7.199 -3.082 1.00 0.00 C ATOM 1800 CE2 TYR A 118 12.253 -7.584 -3.651 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.592 -7.589 -3.991 1.00 0.00 C ATOM 1802 OH TYR A 118 13.990 -7.992 -5.251 1.00 0.00 O ATOM 0 H TYR A 118 10.651 -7.833 0.786 1.00 0.00 H new ATOM 0 HA TYR A 118 13.476 -8.108 0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.395 -6.088 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 118 13.027 -5.518 0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.909 -6.496 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.832 -7.190 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 118 15.585 -7.203 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 118 11.507 -7.886 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 118 13.202 -8.239 -5.779 1.00 0.00 H new ATOM 1812 N LYS A 119 12.153 -7.044 3.283 1.00 0.00 N ATOM 1813 CA LYS A 119 12.417 -6.599 4.637 1.00 0.00 C ATOM 1814 C LYS A 119 12.796 -5.126 4.595 1.00 0.00 C ATOM 1815 O LYS A 119 13.899 -4.727 4.990 1.00 0.00 O ATOM 1816 CB LYS A 119 13.542 -7.433 5.260 1.00 0.00 C ATOM 1817 CG LYS A 119 13.344 -8.946 5.188 1.00 0.00 C ATOM 1818 CD LYS A 119 12.214 -9.428 6.072 1.00 0.00 C ATOM 1819 CE LYS A 119 12.032 -10.939 5.983 1.00 0.00 C ATOM 1820 NZ LYS A 119 13.268 -11.683 6.331 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.215 -7.423 3.150 1.00 0.00 H new ATOM 0 HA LYS A 119 11.528 -6.729 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.478 -7.181 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.650 -7.146 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.141 -9.233 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.268 -9.444 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.415 -9.146 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.288 -8.932 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.228 -11.245 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.724 -11.205 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.047 -12.694 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.972 -11.560 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.653 -11.317 7.225 1.00 0.00 H new ATOM 1834 N ALA A 120 11.890 -4.346 4.055 1.00 0.00 N ATOM 1835 CA ALA A 120 12.119 -2.938 3.793 1.00 0.00 C ATOM 1836 C ALA A 120 12.123 -2.051 5.030 1.00 0.00 C ATOM 1837 O ALA A 120 11.097 -1.475 5.417 1.00 0.00 O ATOM 1838 CB ALA A 120 11.148 -2.431 2.776 1.00 0.00 C ATOM 0 H ALA A 120 10.963 -4.671 3.781 1.00 0.00 H new ATOM 0 HA ALA A 120 13.133 -2.876 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.334 -1.373 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.270 -2.988 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.131 -2.561 3.147 1.00 0.00 H new ATOM 1844 N ALA A 121 13.266 -1.967 5.628 1.00 0.00 N ATOM 1845 CA ALA A 121 13.520 -1.127 6.751 1.00 0.00 C ATOM 1846 C ALA A 121 14.934 -0.632 6.611 1.00 0.00 C ATOM 1847 O ALA A 121 15.132 0.508 6.201 1.00 0.00 O ATOM 1848 CB ALA A 121 13.345 -1.899 8.048 1.00 0.00 C ATOM 1849 OXT ALA A 121 15.875 -1.443 6.803 1.00 0.00 O ATOM 0 H ALA A 121 14.082 -2.504 5.335 1.00 0.00 H new ATOM 0 HA ALA A 121 12.819 -0.293 6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.543 -1.240 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.324 -2.275 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 121 14.042 -2.737 8.070 1.00 0.00 H new