USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 THR OG1 : rot -7:sc= 0.236 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -2.32! C(o=-2.3!,f=-7.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -134:sc= -1.04 (180deg=-3.11!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.5) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.278 F(o=-3.4!,f=-0.28) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.221) USER MOD Single : A 49 MET CE :methyl -135:sc= -2.69 (180deg=-7.73!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.902 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.96 X(o=-2,f=-2.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 74 ASN : amide:sc= -4.5! C(o=-4.5!,f=-9.4!) USER MOD Single : A 75 SER OG : rot 35:sc= 0.278 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0834 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 6.810 -4.874 17.413 1.00 0.00 N ATOM 67 CA ARG A 8 7.840 -4.958 16.385 1.00 0.00 C ATOM 68 C ARG A 8 7.447 -4.147 15.154 1.00 0.00 C ATOM 69 O ARG A 8 6.279 -4.116 14.766 1.00 0.00 O ATOM 70 CB ARG A 8 8.082 -6.416 15.992 1.00 0.00 C ATOM 71 CG ARG A 8 6.904 -7.057 15.277 1.00 0.00 C ATOM 72 CD ARG A 8 7.215 -8.487 14.861 1.00 0.00 C ATOM 73 NE ARG A 8 8.177 -8.540 13.764 1.00 0.00 N ATOM 74 CZ ARG A 8 8.523 -9.663 13.144 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.988 -10.819 13.512 1.00 0.00 N ATOM 76 NH2 ARG A 8 9.405 -9.631 12.154 1.00 0.00 N ATOM 0 HA ARG A 8 8.761 -4.542 16.795 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.960 -6.469 15.348 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.309 -6.992 16.889 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.032 -7.049 15.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.648 -6.468 14.396 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.610 -9.036 15.716 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.294 -8.986 14.560 1.00 0.00 H new ATOM 0 HE ARG A 8 8.607 -7.667 13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.309 -10.848 14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.255 -11.680 13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.819 -8.744 11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.670 -10.494 11.679 1.00 0.00 H new ATOM 90 N MET A 9 8.429 -3.491 14.544 1.00 0.00 N ATOM 91 CA MET A 9 8.185 -2.681 13.357 1.00 0.00 C ATOM 92 C MET A 9 8.540 -3.452 12.090 1.00 0.00 C ATOM 93 O MET A 9 9.615 -4.045 11.992 1.00 0.00 O ATOM 94 CB MET A 9 8.996 -1.385 13.422 1.00 0.00 C ATOM 95 CG MET A 9 9.089 -0.797 14.821 1.00 0.00 C ATOM 96 SD MET A 9 7.549 -0.953 15.745 1.00 0.00 S ATOM 97 CE MET A 9 6.499 0.189 14.848 1.00 0.00 C ATOM 0 H MET A 9 9.401 -3.505 14.853 1.00 0.00 H new ATOM 0 HA MET A 9 7.123 -2.436 13.327 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.002 -1.576 13.049 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.544 -0.649 12.757 1.00 0.00 H new ATOM 0 HG2 MET A 9 9.888 -1.297 15.368 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.361 0.256 14.751 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.508 0.204 15.301 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.932 1.189 14.887 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.418 -0.131 13.809 1.00 0.00 H new ATOM 107 N LEU A 10 7.630 -3.442 11.122 1.00 0.00 N ATOM 108 CA LEU A 10 7.847 -4.141 9.860 1.00 0.00 C ATOM 109 C LEU A 10 8.077 -3.152 8.722 1.00 0.00 C ATOM 110 O LEU A 10 7.225 -2.311 8.435 1.00 0.00 O ATOM 111 CB LEU A 10 6.649 -5.036 9.538 1.00 0.00 C ATOM 112 CG LEU A 10 6.204 -5.988 10.650 1.00 0.00 C ATOM 113 CD1 LEU A 10 4.887 -6.654 10.286 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.277 -7.034 10.917 1.00 0.00 C ATOM 0 H LEU A 10 6.735 -2.957 11.187 1.00 0.00 H new ATOM 0 HA LEU A 10 8.738 -4.760 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.805 -4.398 9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.890 -5.628 8.655 1.00 0.00 H new ATOM 0 HG LEU A 10 6.055 -5.408 11.561 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.586 -7.328 11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.121 -5.892 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.009 -7.221 9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.944 -7.703 11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.458 -7.610 10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.199 -6.540 11.222 1.00 0.00 H new ATOM 126 N ASP A 11 9.233 -3.260 8.076 1.00 0.00 N ATOM 127 CA ASP A 11 9.575 -2.377 6.967 1.00 0.00 C ATOM 128 C ASP A 11 8.995 -2.902 5.657 1.00 0.00 C ATOM 129 O ASP A 11 9.592 -3.753 4.998 1.00 0.00 O ATOM 130 CB ASP A 11 11.093 -2.238 6.847 1.00 0.00 C ATOM 131 CG ASP A 11 11.505 -1.405 5.649 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.139 -1.776 4.515 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.194 -0.382 5.846 1.00 0.00 O ATOM 0 H ASP A 11 9.949 -3.950 8.301 1.00 0.00 H new ATOM 0 HA ASP A 11 9.143 -1.397 7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.486 -1.782 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.541 -3.229 6.768 1.00 0.00 H new ATOM 138 N PHE A 12 7.826 -2.389 5.286 1.00 0.00 N ATOM 139 CA PHE A 12 7.164 -2.807 4.056 1.00 0.00 C ATOM 140 C PHE A 12 7.564 -1.908 2.890 1.00 0.00 C ATOM 141 O PHE A 12 7.176 -0.741 2.831 1.00 0.00 O ATOM 142 CB PHE A 12 5.644 -2.782 4.236 1.00 0.00 C ATOM 143 CG PHE A 12 5.106 -3.988 4.951 1.00 0.00 C ATOM 144 CD1 PHE A 12 4.820 -5.152 4.257 1.00 0.00 C ATOM 145 CD2 PHE A 12 4.885 -3.957 6.319 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.324 -6.263 4.912 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.390 -5.065 6.980 1.00 0.00 C ATOM 148 CZ PHE A 12 4.108 -6.219 6.275 1.00 0.00 C ATOM 0 H PHE A 12 7.318 -1.683 5.820 1.00 0.00 H new ATOM 0 HA PHE A 12 7.480 -3.826 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.366 -1.886 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.171 -2.709 3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.987 -5.192 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.102 -3.057 6.875 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.106 -7.164 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.224 -5.029 8.047 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.719 -7.085 6.789 1.00 0.00 H new ATOM 158 N ARG A 13 8.343 -2.459 1.965 1.00 0.00 N ATOM 159 CA ARG A 13 8.798 -1.707 0.802 1.00 0.00 C ATOM 160 C ARG A 13 7.827 -1.870 -0.364 1.00 0.00 C ATOM 161 O ARG A 13 7.696 -2.956 -0.929 1.00 0.00 O ATOM 162 CB ARG A 13 10.195 -2.169 0.384 1.00 0.00 C ATOM 163 CG ARG A 13 10.810 -1.326 -0.721 1.00 0.00 C ATOM 164 CD ARG A 13 10.447 -1.862 -2.097 1.00 0.00 C ATOM 165 NE ARG A 13 11.234 -3.042 -2.449 1.00 0.00 N ATOM 166 CZ ARG A 13 12.535 -3.005 -2.713 1.00 0.00 C ATOM 167 NH1 ARG A 13 13.193 -1.855 -2.665 1.00 0.00 N ATOM 168 NH2 ARG A 13 13.181 -4.121 -3.026 1.00 0.00 N ATOM 0 H ARG A 13 8.672 -3.424 1.998 1.00 0.00 H new ATOM 0 HA ARG A 13 8.838 -0.653 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.851 -2.147 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.141 -3.206 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.467 -0.296 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.894 -1.312 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.387 -2.113 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.607 -1.084 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 13 10.758 -3.943 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.700 -0.995 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.192 -1.830 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.678 -5.008 -3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.180 -4.092 -3.229 1.00 0.00 H new ATOM 182 N VAL A 14 7.149 -0.783 -0.719 1.00 0.00 N ATOM 183 CA VAL A 14 6.190 -0.805 -1.817 1.00 0.00 C ATOM 184 C VAL A 14 6.802 -0.232 -3.091 1.00 0.00 C ATOM 185 O VAL A 14 7.139 0.949 -3.152 1.00 0.00 O ATOM 186 CB VAL A 14 4.919 -0.009 -1.469 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.884 -0.143 -2.576 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.349 -0.473 -0.136 1.00 0.00 C ATOM 0 H VAL A 14 7.246 0.124 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 14 5.922 -1.848 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 14 5.184 1.044 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.993 0.426 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.297 0.241 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.620 -1.193 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.451 0.100 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.098 -1.532 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.089 -0.320 0.649 1.00 0.00 H new ATOM 198 N GLU A 15 6.941 -1.079 -4.107 1.00 0.00 N ATOM 199 CA GLU A 15 7.513 -0.656 -5.380 1.00 0.00 C ATOM 200 C GLU A 15 6.424 -0.164 -6.328 1.00 0.00 C ATOM 201 O GLU A 15 5.646 -0.955 -6.862 1.00 0.00 O ATOM 202 CB GLU A 15 8.284 -1.809 -6.026 1.00 0.00 C ATOM 203 CG GLU A 15 9.186 -1.373 -7.168 1.00 0.00 C ATOM 204 CD GLU A 15 9.616 -2.532 -8.047 1.00 0.00 C ATOM 205 OE1 GLU A 15 8.794 -3.444 -8.271 1.00 0.00 O ATOM 206 OE2 GLU A 15 10.776 -2.525 -8.510 1.00 0.00 O ATOM 0 H GLU A 15 6.666 -2.061 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 15 8.200 0.167 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.888 -2.302 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.573 -2.548 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.664 -0.634 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.070 -0.883 -6.761 1.00 0.00 H new ATOM 213 N TYR A 16 6.374 1.148 -6.533 1.00 0.00 N ATOM 214 CA TYR A 16 5.379 1.747 -7.414 1.00 0.00 C ATOM 215 C TYR A 16 6.049 2.523 -8.544 1.00 0.00 C ATOM 216 O TYR A 16 7.154 3.043 -8.385 1.00 0.00 O ATOM 217 CB TYR A 16 4.457 2.674 -6.620 1.00 0.00 C ATOM 218 CG TYR A 16 3.275 3.178 -7.417 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.596 2.343 -8.296 1.00 0.00 C ATOM 220 CD2 TYR A 16 2.835 4.490 -7.289 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.517 2.800 -9.026 1.00 0.00 C ATOM 222 CE2 TYR A 16 1.755 4.956 -8.014 1.00 0.00 C ATOM 223 CZ TYR A 16 1.100 4.107 -8.882 1.00 0.00 C ATOM 224 OH TYR A 16 0.024 4.566 -9.606 1.00 0.00 O ATOM 0 H TYR A 16 7.011 1.817 -6.101 1.00 0.00 H new ATOM 0 HA TYR A 16 4.786 0.943 -7.851 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.092 2.144 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.034 3.527 -6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.918 1.318 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.346 5.157 -6.611 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.002 2.138 -9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.426 5.978 -7.902 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.140 5.507 -9.387 1.00 0.00 H new ATOM 234 N ARG A 17 5.371 2.598 -9.684 1.00 0.00 N ATOM 235 CA ARG A 17 5.900 3.310 -10.842 1.00 0.00 C ATOM 236 C ARG A 17 6.743 4.505 -10.407 1.00 0.00 C ATOM 237 O ARG A 17 7.946 4.555 -10.663 1.00 0.00 O ATOM 238 CB ARG A 17 4.757 3.780 -11.744 1.00 0.00 C ATOM 239 CG ARG A 17 3.533 2.880 -11.694 1.00 0.00 C ATOM 240 CD ARG A 17 3.898 1.428 -11.955 1.00 0.00 C ATOM 241 NE ARG A 17 2.793 0.522 -11.651 1.00 0.00 N ATOM 242 CZ ARG A 17 1.708 0.407 -12.408 1.00 0.00 C ATOM 243 NH1 ARG A 17 1.583 1.136 -13.508 1.00 0.00 N ATOM 244 NH2 ARG A 17 0.745 -0.439 -12.065 1.00 0.00 N ATOM 0 H ARG A 17 4.455 2.175 -9.831 1.00 0.00 H new ATOM 0 HA ARG A 17 6.536 2.623 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.467 4.790 -11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.116 3.835 -12.772 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.056 2.966 -10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.805 3.212 -12.435 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.187 1.309 -12.999 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.765 1.158 -11.351 1.00 0.00 H new ATOM 0 HE ARG A 17 2.858 -0.054 -10.812 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.321 1.787 -13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.749 1.046 -14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.838 -1.002 -11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.088 -0.527 -12.647 1.00 0.00 H new ATOM 258 N ASP A 18 6.103 5.465 -9.747 1.00 0.00 N ATOM 259 CA ASP A 18 6.794 6.660 -9.276 1.00 0.00 C ATOM 260 C ASP A 18 8.121 6.296 -8.618 1.00 0.00 C ATOM 261 O ASP A 18 9.189 6.664 -9.108 1.00 0.00 O ATOM 262 CB ASP A 18 5.914 7.427 -8.287 1.00 0.00 C ATOM 263 CG ASP A 18 6.400 8.844 -8.059 1.00 0.00 C ATOM 264 OD1 ASP A 18 7.508 9.010 -7.508 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.672 9.788 -8.432 1.00 0.00 O ATOM 0 H ASP A 18 5.108 5.439 -9.526 1.00 0.00 H new ATOM 0 HA ASP A 18 6.998 7.295 -10.138 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.890 7.453 -8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.893 6.896 -7.336 1.00 0.00 H new ATOM 270 N ARG A 19 8.046 5.573 -7.505 1.00 0.00 N ATOM 271 CA ARG A 19 9.241 5.162 -6.779 1.00 0.00 C ATOM 272 C ARG A 19 8.881 4.244 -5.615 1.00 0.00 C ATOM 273 O ARG A 19 7.707 4.060 -5.296 1.00 0.00 O ATOM 274 CB ARG A 19 9.997 6.387 -6.262 1.00 0.00 C ATOM 275 CG ARG A 19 9.273 7.122 -5.146 1.00 0.00 C ATOM 276 CD ARG A 19 10.107 8.273 -4.604 1.00 0.00 C ATOM 277 NE ARG A 19 10.445 9.241 -5.644 1.00 0.00 N ATOM 278 CZ ARG A 19 11.208 10.308 -5.434 1.00 0.00 C ATOM 279 NH1 ARG A 19 11.711 10.541 -4.230 1.00 0.00 N ATOM 280 NH2 ARG A 19 11.471 11.143 -6.431 1.00 0.00 N ATOM 0 H ARG A 19 7.170 5.260 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 19 9.883 4.612 -7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.977 6.074 -5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.166 7.076 -7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.322 7.504 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.044 6.426 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.558 8.774 -3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.023 7.880 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 19 10.075 9.090 -6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.513 9.900 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.297 11.361 -4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.087 10.966 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.057 11.962 -6.269 1.00 0.00 H new ATOM 294 N ASN A 20 9.900 3.670 -4.984 1.00 0.00 N ATOM 295 CA ASN A 20 9.691 2.770 -3.855 1.00 0.00 C ATOM 296 C ASN A 20 9.595 3.550 -2.548 1.00 0.00 C ATOM 297 O ASN A 20 10.469 4.356 -2.228 1.00 0.00 O ATOM 298 CB ASN A 20 10.829 1.750 -3.771 1.00 0.00 C ATOM 299 CG ASN A 20 11.407 1.416 -5.133 1.00 0.00 C ATOM 300 OD1 ASN A 20 11.714 2.307 -5.925 1.00 0.00 O ATOM 301 ND2 ASN A 20 11.559 0.126 -5.411 1.00 0.00 N ATOM 0 H ASN A 20 10.878 3.812 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 20 8.750 2.243 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.619 2.143 -3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.462 0.838 -3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.944 -0.160 -6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.291 -0.579 -4.724 1.00 0.00 H new ATOM 308 N VAL A 21 8.528 3.305 -1.795 1.00 0.00 N ATOM 309 CA VAL A 21 8.318 3.983 -0.521 1.00 0.00 C ATOM 310 C VAL A 21 8.431 3.008 0.645 1.00 0.00 C ATOM 311 O VAL A 21 8.051 1.842 0.532 1.00 0.00 O ATOM 312 CB VAL A 21 6.939 4.668 -0.471 1.00 0.00 C ATOM 313 CG1 VAL A 21 5.826 3.639 -0.595 1.00 0.00 C ATOM 314 CG2 VAL A 21 6.792 5.474 0.811 1.00 0.00 C ATOM 0 H VAL A 21 7.795 2.642 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 21 9.096 4.741 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 21 6.862 5.353 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.860 4.142 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.923 3.110 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.896 2.926 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.812 5.951 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.890 4.811 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.569 6.238 0.852 1.00 0.00 H new ATOM 324 N ASP A 22 8.955 3.493 1.765 1.00 0.00 N ATOM 325 CA ASP A 22 9.117 2.665 2.955 1.00 0.00 C ATOM 326 C ASP A 22 7.935 2.839 3.904 1.00 0.00 C ATOM 327 O ASP A 22 7.485 3.958 4.152 1.00 0.00 O ATOM 328 CB ASP A 22 10.420 3.017 3.674 1.00 0.00 C ATOM 329 CG ASP A 22 10.858 1.935 4.642 1.00 0.00 C ATOM 330 OD1 ASP A 22 10.546 0.752 4.391 1.00 0.00 O ATOM 331 OD2 ASP A 22 11.514 2.271 5.649 1.00 0.00 O ATOM 0 H ASP A 22 9.275 4.455 1.874 1.00 0.00 H new ATOM 0 HA ASP A 22 9.156 1.623 2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.206 3.180 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.291 3.954 4.215 1.00 0.00 H new ATOM 336 N VAL A 23 7.436 1.725 4.430 1.00 0.00 N ATOM 337 CA VAL A 23 6.307 1.755 5.352 1.00 0.00 C ATOM 338 C VAL A 23 6.633 1.015 6.644 1.00 0.00 C ATOM 339 O VAL A 23 7.266 -0.040 6.626 1.00 0.00 O ATOM 340 CB VAL A 23 5.049 1.129 4.719 1.00 0.00 C ATOM 341 CG1 VAL A 23 3.851 1.288 5.642 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.772 1.753 3.359 1.00 0.00 C ATOM 0 H VAL A 23 7.796 0.791 4.233 1.00 0.00 H new ATOM 0 HA VAL A 23 6.109 2.803 5.577 1.00 0.00 H new ATOM 0 HB VAL A 23 5.227 0.063 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.972 0.840 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.054 0.791 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.667 2.347 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.880 1.300 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.614 2.825 3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.623 1.582 2.700 1.00 0.00 H new ATOM 352 N VAL A 24 6.195 1.576 7.767 1.00 0.00 N ATOM 353 CA VAL A 24 6.438 0.969 9.070 1.00 0.00 C ATOM 354 C VAL A 24 5.169 0.952 9.915 1.00 0.00 C ATOM 355 O VAL A 24 4.633 2.002 10.271 1.00 0.00 O ATOM 356 CB VAL A 24 7.543 1.717 9.840 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.497 1.364 11.319 1.00 0.00 C ATOM 358 CG2 VAL A 24 8.910 1.402 9.250 1.00 0.00 C ATOM 0 H VAL A 24 5.670 2.450 7.800 1.00 0.00 H new ATOM 0 HA VAL A 24 6.762 -0.055 8.886 1.00 0.00 H new ATOM 0 HB VAL A 24 7.368 2.788 9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.285 1.902 11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.528 1.646 11.730 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.645 0.291 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.679 1.939 9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.096 0.330 9.316 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.935 1.711 8.205 1.00 0.00 H new ATOM 368 N LEU A 25 4.693 -0.247 10.232 1.00 0.00 N ATOM 369 CA LEU A 25 3.485 -0.402 11.036 1.00 0.00 C ATOM 370 C LEU A 25 3.573 -1.644 11.916 1.00 0.00 C ATOM 371 O LEU A 25 3.988 -2.710 11.462 1.00 0.00 O ATOM 372 CB LEU A 25 2.255 -0.490 10.131 1.00 0.00 C ATOM 373 CG LEU A 25 1.980 -1.856 9.502 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.614 -1.871 8.833 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.070 -2.211 8.502 1.00 0.00 C ATOM 0 H LEU A 25 5.124 -1.126 9.945 1.00 0.00 H new ATOM 0 HA LEU A 25 3.392 0.472 11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.380 -0.197 10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.365 0.241 9.330 1.00 0.00 H new ATOM 0 HG LEU A 25 1.982 -2.606 10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.436 -2.851 8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.157 -1.662 9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.582 -1.110 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.858 -3.186 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.100 -1.458 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.034 -2.243 9.010 1.00 0.00 H new ATOM 387 N GLU A 26 3.177 -1.499 13.177 1.00 0.00 N ATOM 388 CA GLU A 26 3.211 -2.610 14.120 1.00 0.00 C ATOM 389 C GLU A 26 2.430 -3.805 13.581 1.00 0.00 C ATOM 390 O GLU A 26 1.573 -3.658 12.709 1.00 0.00 O ATOM 391 CB GLU A 26 2.635 -2.179 15.471 1.00 0.00 C ATOM 392 CG GLU A 26 3.127 -3.019 16.638 1.00 0.00 C ATOM 393 CD GLU A 26 2.522 -2.591 17.961 1.00 0.00 C ATOM 394 OE1 GLU A 26 2.288 -1.377 18.140 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.284 -3.468 18.817 1.00 0.00 O ATOM 0 H GLU A 26 2.829 -0.624 13.568 1.00 0.00 H new ATOM 0 HA GLU A 26 4.251 -2.907 14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.894 -1.136 15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.547 -2.235 15.427 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.886 -4.066 16.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.213 -2.948 16.699 1.00 0.00 H new ATOM 402 N ASP A 27 2.734 -4.988 14.104 1.00 0.00 N ATOM 403 CA ASP A 27 2.061 -6.209 13.676 1.00 0.00 C ATOM 404 C ASP A 27 0.605 -6.216 14.132 1.00 0.00 C ATOM 405 O ASP A 27 -0.143 -7.150 13.842 1.00 0.00 O ATOM 406 CB ASP A 27 2.787 -7.437 14.228 1.00 0.00 C ATOM 407 CG ASP A 27 2.712 -7.523 15.740 1.00 0.00 C ATOM 408 OD1 ASP A 27 1.592 -7.674 16.270 1.00 0.00 O ATOM 409 OD2 ASP A 27 3.774 -7.437 16.393 1.00 0.00 O ATOM 0 H ASP A 27 3.442 -5.127 14.825 1.00 0.00 H new ATOM 0 HA ASP A 27 2.082 -6.243 12.587 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.353 -8.338 13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.832 -7.406 13.920 1.00 0.00 H new ATOM 414 N THR A 28 0.210 -5.168 14.848 1.00 0.00 N ATOM 415 CA THR A 28 -1.155 -5.054 15.346 1.00 0.00 C ATOM 416 C THR A 28 -2.068 -4.415 14.306 1.00 0.00 C ATOM 417 O THR A 28 -3.273 -4.672 14.283 1.00 0.00 O ATOM 418 CB THR A 28 -1.213 -4.224 16.643 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.447 -3.024 16.490 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.680 -5.025 17.822 1.00 0.00 C ATOM 0 H THR A 28 0.816 -4.386 15.096 1.00 0.00 H new ATOM 0 HA THR A 28 -1.500 -6.066 15.556 1.00 0.00 H new ATOM 0 HB THR A 28 -2.254 -3.968 16.839 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.490 -2.501 17.318 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.731 -4.419 18.726 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.282 -5.924 17.953 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.356 -5.307 17.632 1.00 0.00 H new ATOM 428 N CYS A 29 -1.489 -3.583 13.448 1.00 0.00 N ATOM 429 CA CYS A 29 -2.251 -2.907 12.405 1.00 0.00 C ATOM 430 C CYS A 29 -2.794 -3.910 11.392 1.00 0.00 C ATOM 431 O CYS A 29 -2.233 -4.991 11.210 1.00 0.00 O ATOM 432 CB CYS A 29 -1.378 -1.870 11.697 1.00 0.00 C ATOM 433 SG CYS A 29 -1.236 -0.299 12.580 1.00 0.00 S ATOM 0 H CYS A 29 -0.494 -3.360 13.454 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.094 -2.401 12.875 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.381 -2.286 11.555 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.789 -1.681 10.705 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.477 0.512 11.904 1.00 0.00 H new ATOM 439 N THR A 30 -3.890 -3.545 10.734 1.00 0.00 N ATOM 440 CA THR A 30 -4.511 -4.413 9.741 1.00 0.00 C ATOM 441 C THR A 30 -3.843 -4.256 8.380 1.00 0.00 C ATOM 442 O THR A 30 -3.354 -3.179 8.037 1.00 0.00 O ATOM 443 CB THR A 30 -6.016 -4.118 9.599 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.608 -3.958 10.893 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.719 -5.239 8.849 1.00 0.00 C ATOM 0 H THR A 30 -4.366 -2.653 10.871 1.00 0.00 H new ATOM 0 HA THR A 30 -4.381 -5.437 10.091 1.00 0.00 H new ATOM 0 HB THR A 30 -6.131 -3.195 9.031 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.564 -3.769 10.794 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.781 -5.008 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.286 -5.338 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.595 -6.175 9.394 1.00 0.00 H new ATOM 453 N VAL A 31 -3.828 -5.336 7.605 1.00 0.00 N ATOM 454 CA VAL A 31 -3.222 -5.317 6.279 1.00 0.00 C ATOM 455 C VAL A 31 -3.774 -4.172 5.438 1.00 0.00 C ATOM 456 O VAL A 31 -3.120 -3.696 4.512 1.00 0.00 O ATOM 457 CB VAL A 31 -3.457 -6.645 5.536 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.710 -7.780 6.219 1.00 0.00 C ATOM 459 CG2 VAL A 31 -4.945 -6.951 5.451 1.00 0.00 C ATOM 0 H VAL A 31 -4.229 -6.235 7.873 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.151 -5.174 6.423 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.070 -6.547 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.889 -8.710 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.642 -7.562 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.063 -7.883 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.093 -7.893 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.358 -7.030 6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.451 -6.150 4.913 1.00 0.00 H new ATOM 469 N GLY A 32 -4.985 -3.732 5.769 1.00 0.00 N ATOM 470 CA GLY A 32 -5.606 -2.645 5.035 1.00 0.00 C ATOM 471 C GLY A 32 -4.865 -1.334 5.205 1.00 0.00 C ATOM 472 O GLY A 32 -4.771 -0.542 4.268 1.00 0.00 O ATOM 0 H GLY A 32 -5.547 -4.109 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.646 -2.902 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.635 -2.524 5.373 1.00 0.00 H new ATOM 476 N GLU A 33 -4.339 -1.104 6.404 1.00 0.00 N ATOM 477 CA GLU A 33 -3.605 0.123 6.692 1.00 0.00 C ATOM 478 C GLU A 33 -2.588 0.420 5.594 1.00 0.00 C ATOM 479 O GLU A 33 -2.648 1.464 4.944 1.00 0.00 O ATOM 480 CB GLU A 33 -2.895 0.013 8.043 1.00 0.00 C ATOM 481 CG GLU A 33 -3.736 0.494 9.214 1.00 0.00 C ATOM 482 CD GLU A 33 -5.050 -0.253 9.334 1.00 0.00 C ATOM 483 OE1 GLU A 33 -5.999 0.094 8.601 1.00 0.00 O ATOM 484 OE2 GLU A 33 -5.129 -1.185 10.162 1.00 0.00 O ATOM 0 H GLU A 33 -4.407 -1.750 7.190 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.321 0.944 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.613 -1.026 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.972 0.592 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.169 0.375 10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.937 1.559 9.099 1.00 0.00 H new ATOM 491 N ILE A 34 -1.655 -0.505 5.394 1.00 0.00 N ATOM 492 CA ILE A 34 -0.626 -0.343 4.375 1.00 0.00 C ATOM 493 C ILE A 34 -1.170 0.395 3.156 1.00 0.00 C ATOM 494 O ILE A 34 -0.476 1.210 2.549 1.00 0.00 O ATOM 495 CB ILE A 34 -0.059 -1.703 3.926 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.379 -2.523 5.142 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.107 -1.501 2.969 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.097 -3.804 4.779 1.00 0.00 C ATOM 0 H ILE A 34 -1.591 -1.374 5.924 1.00 0.00 H new ATOM 0 HA ILE A 34 0.174 0.245 4.826 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.842 -2.252 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.033 -1.913 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.498 -2.765 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.497 -2.471 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.766 -0.951 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.894 -0.936 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.378 -4.334 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.438 -4.434 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.993 -3.569 4.205 1.00 0.00 H new ATOM 510 N LYS A 35 -2.418 0.105 2.804 1.00 0.00 N ATOM 511 CA LYS A 35 -3.059 0.742 1.660 1.00 0.00 C ATOM 512 C LYS A 35 -3.327 2.217 1.939 1.00 0.00 C ATOM 513 O LYS A 35 -2.722 3.094 1.324 1.00 0.00 O ATOM 514 CB LYS A 35 -4.370 0.029 1.321 1.00 0.00 C ATOM 515 CG LYS A 35 -4.204 -1.459 1.067 1.00 0.00 C ATOM 516 CD LYS A 35 -5.354 -2.016 0.244 1.00 0.00 C ATOM 517 CE LYS A 35 -5.055 -1.952 -1.246 1.00 0.00 C ATOM 518 NZ LYS A 35 -5.270 -0.585 -1.797 1.00 0.00 N ATOM 0 H LYS A 35 -3.006 -0.568 3.295 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.383 0.668 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.075 0.173 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.809 0.493 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.263 -1.637 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.147 -1.987 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.543 -3.049 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.262 -1.453 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.023 -2.257 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.692 -2.661 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.808 -0.649 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.802 -0.014 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.350 -0.136 -1.981 1.00 0.00 H new ATOM 532 N GLN A 36 -4.238 2.483 2.871 1.00 0.00 N ATOM 533 CA GLN A 36 -4.585 3.852 3.231 1.00 0.00 C ATOM 534 C GLN A 36 -3.334 4.668 3.539 1.00 0.00 C ATOM 535 O GLN A 36 -3.317 5.887 3.364 1.00 0.00 O ATOM 536 CB GLN A 36 -5.524 3.862 4.438 1.00 0.00 C ATOM 537 CG GLN A 36 -6.137 5.224 4.721 1.00 0.00 C ATOM 538 CD GLN A 36 -7.485 5.127 5.407 1.00 0.00 C ATOM 539 OE1 GLN A 36 -7.582 5.230 6.630 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.537 4.927 4.620 1.00 0.00 N ATOM 0 H GLN A 36 -4.748 1.768 3.390 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.093 4.307 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.324 3.140 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.974 3.530 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.456 5.801 5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.249 5.769 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.411 4.848 3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.470 4.853 5.025 1.00 0.00 H new ATOM 549 N ILE A 37 -2.289 3.988 3.998 1.00 0.00 N ATOM 550 CA ILE A 37 -1.033 4.650 4.330 1.00 0.00 C ATOM 551 C ILE A 37 -0.325 5.147 3.074 1.00 0.00 C ATOM 552 O ILE A 37 0.171 6.274 3.032 1.00 0.00 O ATOM 553 CB ILE A 37 -0.087 3.711 5.101 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.661 3.397 6.485 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.295 4.334 5.223 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.122 2.346 7.239 1.00 0.00 C ATOM 0 H ILE A 37 -2.287 2.979 4.149 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.283 5.500 4.964 1.00 0.00 H new ATOM 0 HB ILE A 37 0.005 2.777 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.686 4.313 7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.692 3.061 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.952 3.658 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.704 4.510 4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.221 5.281 5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.341 2.174 8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.126 1.417 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.147 2.688 7.381 1.00 0.00 H new ATOM 568 N LEU A 38 -0.283 4.300 2.051 1.00 0.00 N ATOM 569 CA LEU A 38 0.363 4.653 0.792 1.00 0.00 C ATOM 570 C LEU A 38 -0.246 5.923 0.205 1.00 0.00 C ATOM 571 O LEU A 38 0.368 6.590 -0.627 1.00 0.00 O ATOM 572 CB LEU A 38 0.236 3.503 -0.209 1.00 0.00 C ATOM 573 CG LEU A 38 1.152 2.302 0.030 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.712 1.119 -0.818 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.599 2.666 -0.268 1.00 0.00 C ATOM 0 H LEU A 38 -0.689 3.364 2.069 1.00 0.00 H new ATOM 0 HA LEU A 38 1.418 4.837 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.797 3.154 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.434 3.893 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 38 1.080 2.017 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.375 0.274 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.309 0.843 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.754 1.392 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.236 1.799 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.689 2.977 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.910 3.483 0.383 1.00 0.00 H new ATOM 587 N GLU A 39 -1.457 6.250 0.645 1.00 0.00 N ATOM 588 CA GLU A 39 -2.148 7.441 0.163 1.00 0.00 C ATOM 589 C GLU A 39 -1.629 8.693 0.865 1.00 0.00 C ATOM 590 O GLU A 39 -1.822 9.810 0.388 1.00 0.00 O ATOM 591 CB GLU A 39 -3.656 7.307 0.385 1.00 0.00 C ATOM 592 CG GLU A 39 -4.453 8.499 -0.118 1.00 0.00 C ATOM 593 CD GLU A 39 -5.943 8.346 0.119 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.531 7.380 -0.410 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.520 9.192 0.834 1.00 0.00 O ATOM 0 H GLU A 39 -1.979 5.708 1.333 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.952 7.537 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.010 6.406 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.848 7.175 1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.101 9.403 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.270 8.630 -1.185 1.00 0.00 H new ATOM 602 N ASN A 40 -0.968 8.496 2.002 1.00 0.00 N ATOM 603 CA ASN A 40 -0.422 9.608 2.771 1.00 0.00 C ATOM 604 C ASN A 40 1.015 9.905 2.351 1.00 0.00 C ATOM 605 O ASN A 40 1.611 10.884 2.798 1.00 0.00 O ATOM 606 CB ASN A 40 -0.474 9.295 4.267 1.00 0.00 C ATOM 607 CG ASN A 40 -1.874 9.420 4.836 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.806 9.820 4.138 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.028 9.077 6.110 1.00 0.00 N ATOM 0 H ASN A 40 -0.798 7.577 2.410 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.030 10.490 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.105 8.284 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.194 9.972 4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.947 9.140 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.227 8.751 6.651 1.00 0.00 H new ATOM 616 N GLU A 41 1.562 9.053 1.490 1.00 0.00 N ATOM 617 CA GLU A 41 2.929 9.225 1.011 1.00 0.00 C ATOM 618 C GLU A 41 2.964 9.322 -0.511 1.00 0.00 C ATOM 619 O GLU A 41 3.778 10.050 -1.081 1.00 0.00 O ATOM 620 CB GLU A 41 3.807 8.063 1.480 1.00 0.00 C ATOM 621 CG GLU A 41 3.918 7.955 2.991 1.00 0.00 C ATOM 622 CD GLU A 41 4.980 8.873 3.565 1.00 0.00 C ATOM 623 OE1 GLU A 41 6.180 8.577 3.386 1.00 0.00 O ATOM 624 OE2 GLU A 41 4.611 9.888 4.194 1.00 0.00 O ATOM 0 H GLU A 41 1.081 8.238 1.110 1.00 0.00 H new ATOM 0 HA GLU A 41 3.318 10.155 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.402 7.131 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.805 8.180 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.954 8.195 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.149 6.925 3.262 1.00 0.00 H new ATOM 631 N LEU A 42 2.075 8.581 -1.165 1.00 0.00 N ATOM 632 CA LEU A 42 2.003 8.582 -2.622 1.00 0.00 C ATOM 633 C LEU A 42 0.814 9.404 -3.109 1.00 0.00 C ATOM 634 O LEU A 42 0.694 9.695 -4.298 1.00 0.00 O ATOM 635 CB LEU A 42 1.896 7.150 -3.148 1.00 0.00 C ATOM 636 CG LEU A 42 3.004 6.190 -2.712 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.705 4.777 -3.188 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.353 6.658 -3.240 1.00 0.00 C ATOM 0 H LEU A 42 1.395 7.973 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 42 2.917 9.037 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.939 6.738 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.881 7.185 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 42 3.044 6.183 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.504 4.109 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.759 4.442 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.636 4.766 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.130 5.963 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.325 6.695 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.572 7.652 -2.849 1.00 0.00 H new ATOM 650 N GLN A 43 -0.060 9.778 -2.180 1.00 0.00 N ATOM 651 CA GLN A 43 -1.238 10.569 -2.514 1.00 0.00 C ATOM 652 C GLN A 43 -2.168 9.794 -3.442 1.00 0.00 C ATOM 653 O GLN A 43 -2.944 10.385 -4.193 1.00 0.00 O ATOM 654 CB GLN A 43 -0.825 11.887 -3.171 1.00 0.00 C ATOM 655 CG GLN A 43 0.416 12.511 -2.553 1.00 0.00 C ATOM 656 CD GLN A 43 0.314 12.643 -1.046 1.00 0.00 C ATOM 657 OE1 GLN A 43 0.871 11.676 -0.328 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 -0.260 13.605 -0.533 1.00 0.00 N flip ATOM 0 H GLN A 43 0.026 9.546 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.773 10.785 -1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.645 11.714 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.651 12.594 -3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.286 11.904 -2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.579 13.496 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.674 14.326 -1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.321 13.680 0.482 1.00 0.00 H new ATOM 667 N ILE A 44 -2.083 8.469 -3.386 1.00 0.00 N ATOM 668 CA ILE A 44 -2.917 7.614 -4.221 1.00 0.00 C ATOM 669 C ILE A 44 -4.146 7.130 -3.458 1.00 0.00 C ATOM 670 O ILE A 44 -4.068 6.729 -2.297 1.00 0.00 O ATOM 671 CB ILE A 44 -2.133 6.393 -4.737 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.751 6.821 -5.237 1.00 0.00 C ATOM 673 CG2 ILE A 44 -2.909 5.694 -5.843 1.00 0.00 C ATOM 674 CD1 ILE A 44 0.113 5.664 -5.686 1.00 0.00 C ATOM 0 H ILE A 44 -1.445 7.964 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.235 8.217 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.000 5.691 -3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.873 7.517 -6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.237 7.361 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.342 4.833 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.872 5.360 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.070 6.387 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.077 6.041 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.266 4.979 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.380 5.137 -6.503 1.00 0.00 H new ATOM 686 N PRO A 45 -5.309 7.167 -4.126 1.00 0.00 N ATOM 687 CA PRO A 45 -6.576 6.733 -3.531 1.00 0.00 C ATOM 688 C PRO A 45 -6.632 5.224 -3.320 1.00 0.00 C ATOM 689 O PRO A 45 -6.303 4.449 -4.219 1.00 0.00 O ATOM 690 CB PRO A 45 -7.620 7.168 -4.563 1.00 0.00 C ATOM 691 CG PRO A 45 -6.878 7.214 -5.855 1.00 0.00 C ATOM 692 CD PRO A 45 -5.476 7.634 -5.512 1.00 0.00 C ATOM 0 HA PRO A 45 -6.729 7.163 -2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.450 6.463 -4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.042 8.142 -4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.885 6.240 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.339 7.920 -6.545 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.745 7.178 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.350 8.714 -5.590 1.00 0.00 H new ATOM 700 N VAL A 46 -7.050 4.812 -2.128 1.00 0.00 N ATOM 701 CA VAL A 46 -7.150 3.395 -1.800 1.00 0.00 C ATOM 702 C VAL A 46 -8.114 2.680 -2.740 1.00 0.00 C ATOM 703 O VAL A 46 -8.112 1.452 -2.831 1.00 0.00 O ATOM 704 CB VAL A 46 -7.617 3.186 -0.347 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.750 1.703 -0.037 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.658 3.859 0.623 1.00 0.00 C ATOM 0 H VAL A 46 -7.325 5.440 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.152 2.972 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.598 3.646 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.081 1.575 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.480 1.254 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.785 1.215 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.004 3.701 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.662 3.431 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.620 4.928 0.414 1.00 0.00 H new ATOM 716 N SER A 47 -8.935 3.457 -3.439 1.00 0.00 N ATOM 717 CA SER A 47 -9.908 2.898 -4.371 1.00 0.00 C ATOM 718 C SER A 47 -9.229 2.455 -5.663 1.00 0.00 C ATOM 719 O SER A 47 -9.660 1.500 -6.310 1.00 0.00 O ATOM 720 CB SER A 47 -10.998 3.925 -4.680 1.00 0.00 C ATOM 721 OG SER A 47 -11.856 4.110 -3.567 1.00 0.00 O ATOM 0 H SER A 47 -8.946 4.475 -3.378 1.00 0.00 H new ATOM 0 HA SER A 47 -10.364 2.026 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.539 4.876 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.580 3.595 -5.540 1.00 0.00 H new ATOM 0 HG SER A 47 -12.543 4.773 -3.790 1.00 0.00 H new ATOM 727 N LYS A 48 -8.164 3.156 -6.035 1.00 0.00 N ATOM 728 CA LYS A 48 -7.422 2.837 -7.249 1.00 0.00 C ATOM 729 C LYS A 48 -6.259 1.898 -6.946 1.00 0.00 C ATOM 730 O LYS A 48 -5.830 1.129 -7.805 1.00 0.00 O ATOM 731 CB LYS A 48 -6.900 4.118 -7.904 1.00 0.00 C ATOM 732 CG LYS A 48 -7.992 5.117 -8.243 1.00 0.00 C ATOM 733 CD LYS A 48 -8.533 4.898 -9.646 1.00 0.00 C ATOM 734 CE LYS A 48 -9.988 5.327 -9.756 1.00 0.00 C ATOM 735 NZ LYS A 48 -10.393 5.556 -11.171 1.00 0.00 N ATOM 0 H LYS A 48 -7.795 3.950 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.101 2.335 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.181 4.591 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.363 3.857 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.804 5.029 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.599 6.130 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.932 5.460 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.442 3.845 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.627 4.562 -9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.142 6.241 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.272 6.111 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.641 6.076 -11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.549 4.641 -11.640 1.00 0.00 H new ATOM 749 N MET A 49 -5.755 1.966 -5.718 1.00 0.00 N ATOM 750 CA MET A 49 -4.643 1.119 -5.301 1.00 0.00 C ATOM 751 C MET A 49 -5.125 -0.293 -4.983 1.00 0.00 C ATOM 752 O MET A 49 -6.249 -0.486 -4.518 1.00 0.00 O ATOM 753 CB MET A 49 -3.947 1.720 -4.079 1.00 0.00 C ATOM 754 CG MET A 49 -3.151 2.977 -4.391 1.00 0.00 C ATOM 755 SD MET A 49 -1.729 3.187 -3.303 1.00 0.00 S ATOM 756 CE MET A 49 -2.493 3.993 -1.898 1.00 0.00 C ATOM 0 H MET A 49 -6.098 2.598 -4.995 1.00 0.00 H new ATOM 0 HA MET A 49 -3.931 1.064 -6.125 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.696 1.953 -3.322 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.279 0.974 -3.648 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.809 2.939 -5.425 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.803 3.846 -4.303 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.871 4.828 -1.575 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.478 4.362 -2.182 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.595 3.280 -1.080 1.00 0.00 H new ATOM 766 N LEU A 50 -4.269 -1.277 -5.236 1.00 0.00 N ATOM 767 CA LEU A 50 -4.608 -2.672 -4.976 1.00 0.00 C ATOM 768 C LEU A 50 -3.419 -3.419 -4.380 1.00 0.00 C ATOM 769 O LEU A 50 -2.389 -3.591 -5.034 1.00 0.00 O ATOM 770 CB LEU A 50 -5.060 -3.356 -6.267 1.00 0.00 C ATOM 771 CG LEU A 50 -6.204 -2.678 -7.021 1.00 0.00 C ATOM 772 CD1 LEU A 50 -6.317 -3.233 -8.432 1.00 0.00 C ATOM 773 CD2 LEU A 50 -7.516 -2.853 -6.270 1.00 0.00 C ATOM 0 H LEU A 50 -3.335 -1.135 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.425 -2.694 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.203 -3.427 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.363 -4.375 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.987 -1.612 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.137 -2.738 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.385 -3.054 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.510 -4.305 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.319 -2.364 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.739 -3.915 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.431 -2.405 -5.280 1.00 0.00 H new ATOM 785 N LEU A 51 -3.568 -3.863 -3.138 1.00 0.00 N ATOM 786 CA LEU A 51 -2.508 -4.595 -2.454 1.00 0.00 C ATOM 787 C LEU A 51 -2.232 -5.926 -3.145 1.00 0.00 C ATOM 788 O LEU A 51 -3.152 -6.692 -3.432 1.00 0.00 O ATOM 789 CB LEU A 51 -2.888 -4.836 -0.992 1.00 0.00 C ATOM 790 CG LEU A 51 -1.728 -4.895 0.002 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.739 -5.980 -0.395 1.00 0.00 C ATOM 792 CD2 LEU A 51 -1.033 -3.545 0.092 1.00 0.00 C ATOM 0 H LEU A 51 -4.413 -3.729 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.601 -3.991 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.568 -4.044 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.441 -5.774 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.130 -5.140 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.080 -6.007 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.244 -6.946 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.343 -5.766 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.210 -3.606 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.645 -3.270 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.746 -2.790 0.425 1.00 0.00 H new ATOM 804 N LYS A 52 -0.958 -6.198 -3.408 1.00 0.00 N ATOM 805 CA LYS A 52 -0.558 -7.438 -4.062 1.00 0.00 C ATOM 806 C LYS A 52 0.882 -7.798 -3.712 1.00 0.00 C ATOM 807 O LYS A 52 1.633 -6.968 -3.202 1.00 0.00 O ATOM 808 CB LYS A 52 -0.709 -7.309 -5.580 1.00 0.00 C ATOM 809 CG LYS A 52 -2.140 -7.075 -6.031 1.00 0.00 C ATOM 810 CD LYS A 52 -2.215 -6.798 -7.524 1.00 0.00 C ATOM 811 CE LYS A 52 -3.647 -6.870 -8.032 1.00 0.00 C ATOM 812 NZ LYS A 52 -3.712 -6.803 -9.518 1.00 0.00 N ATOM 0 H LYS A 52 -0.184 -5.575 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.210 -8.235 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.087 -6.485 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.332 -8.216 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.746 -7.949 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.563 -6.234 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.803 -5.811 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.600 -7.521 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.108 -7.797 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.225 -6.050 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.704 -6.855 -9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.295 -5.907 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.182 -7.600 -9.925 1.00 0.00 H new ATOM 826 N GLY A 53 1.261 -9.042 -3.992 1.00 0.00 N ATOM 827 CA GLY A 53 2.611 -9.489 -3.702 1.00 0.00 C ATOM 828 C GLY A 53 2.762 -9.987 -2.278 1.00 0.00 C ATOM 829 O GLY A 53 3.864 -9.992 -1.729 1.00 0.00 O ATOM 0 H GLY A 53 0.657 -9.747 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.883 -10.286 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.307 -8.668 -3.872 1.00 0.00 H new ATOM 833 N TRP A 54 1.654 -10.405 -1.679 1.00 0.00 N ATOM 834 CA TRP A 54 1.668 -10.906 -0.309 1.00 0.00 C ATOM 835 C TRP A 54 2.534 -12.156 -0.195 1.00 0.00 C ATOM 836 O TRP A 54 3.173 -12.571 -1.163 1.00 0.00 O ATOM 837 CB TRP A 54 0.245 -11.213 0.159 1.00 0.00 C ATOM 838 CG TRP A 54 -0.483 -10.009 0.676 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.618 -9.452 0.159 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.124 -9.212 1.810 1.00 0.00 C ATOM 841 NE1 TRP A 54 -1.986 -8.358 0.903 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.086 -8.190 1.923 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.915 -9.264 2.743 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.038 -7.229 2.929 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.962 -8.310 3.741 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.009 -7.304 3.829 1.00 0.00 C ATOM 0 H TRP A 54 0.734 -10.407 -2.120 1.00 0.00 H new ATOM 0 HA TRP A 54 2.094 -10.132 0.329 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.318 -11.641 -0.670 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.283 -11.970 0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.148 -9.818 -0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.798 -7.766 0.725 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.668 -10.036 2.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.785 -6.452 2.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.762 -8.340 4.466 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.055 -6.574 4.622 1.00 0.00 H new ATOM 912 N VAL A 59 -4.094 -11.972 0.443 1.00 0.00 N ATOM 913 CA VAL A 59 -4.591 -11.627 1.770 1.00 0.00 C ATOM 914 C VAL A 59 -5.724 -10.609 1.684 1.00 0.00 C ATOM 915 O VAL A 59 -5.724 -9.738 0.815 1.00 0.00 O ATOM 916 CB VAL A 59 -3.470 -11.057 2.659 1.00 0.00 C ATOM 917 CG1 VAL A 59 -3.994 -10.765 4.057 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.292 -12.017 2.711 1.00 0.00 C ATOM 0 HA VAL A 59 -4.966 -12.548 2.217 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.125 -10.119 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.188 -10.363 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.803 -10.037 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.367 -11.686 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.509 -11.598 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.619 -12.972 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.902 -12.170 1.705 1.00 0.00 H new ATOM 928 N GLU A 60 -6.687 -10.727 2.592 1.00 0.00 N ATOM 929 CA GLU A 60 -7.826 -9.817 2.618 1.00 0.00 C ATOM 930 C GLU A 60 -7.586 -8.672 3.599 1.00 0.00 C ATOM 931 O GLU A 60 -7.053 -8.876 4.689 1.00 0.00 O ATOM 932 CB GLU A 60 -9.102 -10.571 3.001 1.00 0.00 C ATOM 933 CG GLU A 60 -8.993 -11.322 4.317 1.00 0.00 C ATOM 934 CD GLU A 60 -10.250 -12.102 4.649 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.234 -11.480 5.100 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.249 -13.336 4.456 1.00 0.00 O ATOM 0 H GLU A 60 -6.701 -11.443 3.319 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.946 -9.398 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.928 -9.862 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.348 -11.278 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.146 -12.007 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.787 -10.614 5.119 1.00 0.00 H new ATOM 943 N ASP A 61 -7.982 -7.468 3.201 1.00 0.00 N ATOM 944 CA ASP A 61 -7.811 -6.290 4.044 1.00 0.00 C ATOM 945 C ASP A 61 -8.330 -6.551 5.455 1.00 0.00 C ATOM 946 O ASP A 61 -7.964 -5.853 6.400 1.00 0.00 O ATOM 947 CB ASP A 61 -8.537 -5.090 3.434 1.00 0.00 C ATOM 948 CG ASP A 61 -8.562 -5.138 1.919 1.00 0.00 C ATOM 949 OD1 ASP A 61 -7.478 -5.049 1.304 1.00 0.00 O ATOM 950 OD2 ASP A 61 -9.665 -5.264 1.348 1.00 0.00 O ATOM 0 H ASP A 61 -8.423 -7.282 2.300 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.745 -6.068 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.559 -5.058 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.049 -4.171 3.758 1.00 0.00 H new ATOM 955 N SER A 62 -9.185 -7.560 5.588 1.00 0.00 N ATOM 956 CA SER A 62 -9.758 -7.910 6.882 1.00 0.00 C ATOM 957 C SER A 62 -8.819 -8.825 7.663 1.00 0.00 C ATOM 958 O SER A 62 -9.235 -9.509 8.599 1.00 0.00 O ATOM 959 CB SER A 62 -11.115 -8.592 6.695 1.00 0.00 C ATOM 960 OG SER A 62 -12.014 -7.754 5.991 1.00 0.00 O ATOM 0 H SER A 62 -9.496 -8.149 4.816 1.00 0.00 H new ATOM 0 HA SER A 62 -9.897 -6.991 7.451 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.983 -9.528 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.535 -8.845 7.668 1.00 0.00 H new ATOM 0 HG SER A 62 -12.873 -8.213 5.883 1.00 0.00 H new ATOM 966 N THR A 63 -7.549 -8.833 7.271 1.00 0.00 N ATOM 967 CA THR A 63 -6.550 -9.664 7.931 1.00 0.00 C ATOM 968 C THR A 63 -5.557 -8.812 8.713 1.00 0.00 C ATOM 969 O THR A 63 -5.325 -7.649 8.383 1.00 0.00 O ATOM 970 CB THR A 63 -5.779 -10.529 6.916 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.699 -11.220 6.063 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.889 -11.535 7.629 1.00 0.00 C ATOM 0 H THR A 63 -7.188 -8.273 6.499 1.00 0.00 H new ATOM 0 HA THR A 63 -7.087 -10.317 8.620 1.00 0.00 H new ATOM 0 HB THR A 63 -5.150 -9.872 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.249 -11.986 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.355 -12.134 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.171 -11.006 8.256 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.502 -12.187 8.251 1.00 0.00 H new ATOM 980 N VAL A 64 -4.972 -9.399 9.753 1.00 0.00 N ATOM 981 CA VAL A 64 -4.001 -8.694 10.582 1.00 0.00 C ATOM 982 C VAL A 64 -2.582 -9.170 10.292 1.00 0.00 C ATOM 983 O VAL A 64 -2.354 -10.350 10.022 1.00 0.00 O ATOM 984 CB VAL A 64 -4.299 -8.886 12.081 1.00 0.00 C ATOM 985 CG1 VAL A 64 -3.390 -8.004 12.923 1.00 0.00 C ATOM 986 CG2 VAL A 64 -5.762 -8.592 12.375 1.00 0.00 C ATOM 0 H VAL A 64 -5.154 -10.360 10.041 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.083 -7.635 10.335 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.101 -9.925 12.343 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.615 -8.153 13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.350 -8.267 12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.553 -6.959 12.661 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.955 -8.733 13.439 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.989 -7.562 12.098 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.392 -9.270 11.799 1.00 0.00 H new ATOM 996 N LEU A 65 -1.630 -8.245 10.349 1.00 0.00 N ATOM 997 CA LEU A 65 -0.231 -8.570 10.093 1.00 0.00 C ATOM 998 C LEU A 65 0.227 -9.732 10.967 1.00 0.00 C ATOM 999 O LEU A 65 0.713 -10.747 10.466 1.00 0.00 O ATOM 1000 CB LEU A 65 0.651 -7.346 10.347 1.00 0.00 C ATOM 1001 CG LEU A 65 0.308 -6.092 9.542 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.674 -4.840 10.324 1.00 0.00 C ATOM 1003 CD2 LEU A 65 1.020 -6.111 8.197 1.00 0.00 C ATOM 0 H LEU A 65 -1.801 -7.264 10.570 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.137 -8.867 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.598 -7.099 11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.685 -7.618 10.135 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.767 -6.081 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.423 -3.957 9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.119 -4.821 11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.743 -4.843 10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.765 -5.211 7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.098 -6.145 8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.708 -6.990 7.633 1.00 0.00 H new ATOM 1015 N LYS A 66 0.067 -9.579 12.277 1.00 0.00 N ATOM 1016 CA LYS A 66 0.460 -10.617 13.223 1.00 0.00 C ATOM 1017 C LYS A 66 -0.014 -11.988 12.755 1.00 0.00 C ATOM 1018 O LYS A 66 0.664 -12.994 12.961 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.110 -10.314 14.611 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.521 -10.838 14.815 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.283 -10.005 15.833 1.00 0.00 C ATOM 1022 CE LYS A 66 -1.828 -10.306 17.252 1.00 0.00 C ATOM 1023 NZ LYS A 66 -2.827 -9.859 18.262 1.00 0.00 N ATOM 0 H LYS A 66 -0.332 -8.745 12.708 1.00 0.00 H new ATOM 0 HA LYS A 66 1.549 -10.629 13.279 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.544 -10.750 15.366 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.105 -9.236 14.769 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.054 -10.830 13.864 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.480 -11.875 15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.138 -8.946 15.620 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.351 -10.205 15.742 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.658 -11.377 17.359 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.875 -9.811 17.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.479 -10.082 19.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.971 -8.833 18.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.729 -10.350 18.099 1.00 0.00 H new ATOM 1037 N SER A 67 -1.183 -12.021 12.123 1.00 0.00 N ATOM 1038 CA SER A 67 -1.750 -13.270 11.627 1.00 0.00 C ATOM 1039 C SER A 67 -0.827 -13.914 10.597 1.00 0.00 C ATOM 1040 O SER A 67 -0.611 -15.126 10.611 1.00 0.00 O ATOM 1041 CB SER A 67 -3.127 -13.020 11.010 1.00 0.00 C ATOM 1042 OG SER A 67 -3.958 -14.161 11.139 1.00 0.00 O ATOM 0 H SER A 67 -1.756 -11.197 11.942 1.00 0.00 H new ATOM 0 HA SER A 67 -1.857 -13.952 12.470 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.598 -12.166 11.497 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.016 -12.764 9.956 1.00 0.00 H new ATOM 0 HG SER A 67 -4.833 -13.975 10.739 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.285 -13.093 9.703 1.00 0.00 N ATOM 1049 CA LEU A 68 0.616 -13.581 8.664 1.00 0.00 C ATOM 1050 C LEU A 68 2.034 -13.738 9.202 1.00 0.00 C ATOM 1051 O LEU A 68 2.808 -14.560 8.711 1.00 0.00 O ATOM 1052 CB LEU A 68 0.614 -12.624 7.470 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.602 -12.706 6.547 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.487 -11.689 5.421 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -0.752 -14.112 5.985 1.00 0.00 C ATOM 0 H LEU A 68 -0.454 -12.087 9.677 1.00 0.00 H new ATOM 0 HA LEU A 68 0.261 -14.559 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.691 -11.604 7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.509 -12.813 6.877 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.493 -12.473 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.361 -11.762 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.430 -10.685 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.413 -11.890 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.623 -14.151 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.141 -14.374 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.882 -14.819 6.804 1.00 0.00 H new ATOM 1067 N HIS A 69 2.368 -12.946 10.217 1.00 0.00 N ATOM 1068 CA HIS A 69 3.693 -12.999 10.824 1.00 0.00 C ATOM 1069 C HIS A 69 4.773 -12.661 9.802 1.00 0.00 C ATOM 1070 O HIS A 69 5.754 -13.391 9.654 1.00 0.00 O ATOM 1071 CB HIS A 69 3.950 -14.385 11.416 1.00 0.00 C ATOM 1072 CG HIS A 69 2.995 -14.758 12.508 1.00 0.00 C ATOM 1073 ND1 HIS A 69 3.050 -14.212 13.774 1.00 0.00 N ATOM 1074 CD2 HIS A 69 1.956 -15.625 12.518 1.00 0.00 C ATOM 1075 CE1 HIS A 69 2.086 -14.730 14.515 1.00 0.00 C ATOM 1076 NE2 HIS A 69 1.408 -15.589 13.777 1.00 0.00 N ATOM 0 H HIS A 69 1.739 -12.261 10.636 1.00 0.00 H new ATOM 0 HA HIS A 69 3.730 -12.258 11.623 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.887 -15.128 10.621 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.967 -14.421 11.806 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.620 -16.232 11.690 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.887 -14.491 15.549 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.607 -16.137 14.091 1.00 0.00 H new ATOM 1085 N LEU A 70 4.587 -11.550 9.098 1.00 0.00 N ATOM 1086 CA LEU A 70 5.546 -11.115 8.088 1.00 0.00 C ATOM 1087 C LEU A 70 6.931 -10.926 8.698 1.00 0.00 C ATOM 1088 O LEU A 70 7.079 -10.497 9.842 1.00 0.00 O ATOM 1089 CB LEU A 70 5.078 -9.810 7.441 1.00 0.00 C ATOM 1090 CG LEU A 70 3.917 -9.928 6.453 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.149 -11.086 5.494 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.600 -10.104 7.195 1.00 0.00 C ATOM 0 H LEU A 70 3.781 -10.934 9.208 1.00 0.00 H new ATOM 0 HA LEU A 70 5.609 -11.890 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.786 -9.120 8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.925 -9.361 6.923 1.00 0.00 H new ATOM 0 HG LEU A 70 3.864 -9.007 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.313 -11.155 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.071 -10.919 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.229 -12.015 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.785 -10.186 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.642 -11.009 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.428 -9.243 7.841 1.00 0.00 H new ATOM 1104 N PRO A 71 7.971 -11.250 7.916 1.00 0.00 N ATOM 1105 CA PRO A 71 9.363 -11.122 8.357 1.00 0.00 C ATOM 1106 C PRO A 71 9.795 -9.666 8.495 1.00 0.00 C ATOM 1107 O PRO A 71 9.288 -8.787 7.798 1.00 0.00 O ATOM 1108 CB PRO A 71 10.154 -11.811 7.242 1.00 0.00 C ATOM 1109 CG PRO A 71 9.284 -11.700 6.037 1.00 0.00 C ATOM 1110 CD PRO A 71 7.869 -11.767 6.541 1.00 0.00 C ATOM 0 HA PRO A 71 9.520 -11.560 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 71 11.117 -11.326 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.359 -12.853 7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.466 -10.764 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.486 -12.508 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.197 -11.161 5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.484 -12.787 6.523 1.00 0.00 H new ATOM 1118 N LYS A 72 10.737 -9.416 9.399 1.00 0.00 N ATOM 1119 CA LYS A 72 11.240 -8.067 9.628 1.00 0.00 C ATOM 1120 C LYS A 72 11.271 -7.270 8.328 1.00 0.00 C ATOM 1121 O LYS A 72 10.869 -6.108 8.293 1.00 0.00 O ATOM 1122 CB LYS A 72 12.642 -8.120 10.240 1.00 0.00 C ATOM 1123 CG LYS A 72 13.165 -6.764 10.681 1.00 0.00 C ATOM 1124 CD LYS A 72 14.418 -6.899 11.530 1.00 0.00 C ATOM 1125 CE LYS A 72 15.028 -5.541 11.842 1.00 0.00 C ATOM 1126 NZ LYS A 72 16.394 -5.668 12.422 1.00 0.00 N ATOM 0 H LYS A 72 11.167 -10.131 9.985 1.00 0.00 H new ATOM 0 HA LYS A 72 10.565 -7.568 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.629 -8.792 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.331 -8.547 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.382 -6.154 9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.394 -6.243 11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.175 -7.412 12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.149 -7.516 11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.074 -4.945 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.385 -5.006 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.776 -4.721 12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.347 -6.215 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.014 -6.156 11.745 1.00 0.00 H new ATOM 1140 N ASN A 73 11.749 -7.903 7.262 1.00 0.00 N ATOM 1141 CA ASN A 73 11.831 -7.252 5.960 1.00 0.00 C ATOM 1142 C ASN A 73 10.805 -7.837 4.994 1.00 0.00 C ATOM 1143 O ASN A 73 10.689 -9.054 4.858 1.00 0.00 O ATOM 1144 CB ASN A 73 13.239 -7.402 5.379 1.00 0.00 C ATOM 1145 CG ASN A 73 13.619 -6.244 4.477 1.00 0.00 C ATOM 1146 OD1 ASN A 73 13.039 -6.060 3.406 1.00 0.00 O ATOM 1147 ND2 ASN A 73 14.597 -5.456 4.907 1.00 0.00 N ATOM 0 H ASN A 73 12.085 -8.866 7.274 1.00 0.00 H new ATOM 0 HA ASN A 73 11.613 -6.193 6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.959 -7.476 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.299 -8.333 4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.896 -4.660 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.049 -5.646 5.801 1.00 0.00 H new ATOM 1154 N ASN A 74 10.063 -6.960 4.324 1.00 0.00 N ATOM 1155 CA ASN A 74 9.047 -7.390 3.371 1.00 0.00 C ATOM 1156 C ASN A 74 9.184 -6.634 2.052 1.00 0.00 C ATOM 1157 O ASN A 74 9.911 -5.644 1.965 1.00 0.00 O ATOM 1158 CB ASN A 74 7.648 -7.173 3.952 1.00 0.00 C ATOM 1159 CG ASN A 74 7.360 -8.094 5.123 1.00 0.00 C ATOM 1160 OD1 ASN A 74 6.879 -9.212 4.943 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.654 -7.625 6.330 1.00 0.00 N ATOM 0 H ASN A 74 10.147 -5.948 4.424 1.00 0.00 H new ATOM 0 HA ASN A 74 9.192 -8.453 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.548 -6.137 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.904 -7.337 3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.482 -8.199 7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.052 -6.691 6.431 1.00 0.00 H new ATOM 1168 N SER A 75 8.481 -7.108 1.029 1.00 0.00 N ATOM 1169 CA SER A 75 8.526 -6.479 -0.286 1.00 0.00 C ATOM 1170 C SER A 75 7.161 -6.539 -0.964 1.00 0.00 C ATOM 1171 O SER A 75 6.711 -7.605 -1.387 1.00 0.00 O ATOM 1172 CB SER A 75 9.576 -7.162 -1.165 1.00 0.00 C ATOM 1173 OG SER A 75 9.402 -8.569 -1.168 1.00 0.00 O ATOM 0 H SER A 75 7.873 -7.925 1.085 1.00 0.00 H new ATOM 0 HA SER A 75 8.799 -5.432 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.505 -6.782 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.574 -6.917 -0.802 1.00 0.00 H new ATOM 0 HG SER A 75 8.446 -8.780 -1.127 1.00 0.00 H new ATOM 1179 N LEU A 76 6.506 -5.388 -1.065 1.00 0.00 N ATOM 1180 CA LEU A 76 5.192 -5.308 -1.692 1.00 0.00 C ATOM 1181 C LEU A 76 5.213 -4.351 -2.880 1.00 0.00 C ATOM 1182 O LEU A 76 6.217 -3.687 -3.138 1.00 0.00 O ATOM 1183 CB LEU A 76 4.146 -4.851 -0.673 1.00 0.00 C ATOM 1184 CG LEU A 76 3.668 -5.911 0.319 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.866 -5.270 1.441 1.00 0.00 C ATOM 1186 CD2 LEU A 76 2.841 -6.973 -0.391 1.00 0.00 C ATOM 0 H LEU A 76 6.864 -4.497 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 76 4.928 -6.302 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.558 -4.014 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.280 -4.473 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 76 4.543 -6.393 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.534 -6.040 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.490 -4.549 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.998 -4.761 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.510 -7.719 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.972 -6.507 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.448 -7.455 -1.157 1.00 0.00 H new ATOM 1198 N TYR A 77 4.097 -4.284 -3.598 1.00 0.00 N ATOM 1199 CA TYR A 77 3.987 -3.408 -4.759 1.00 0.00 C ATOM 1200 C TYR A 77 2.531 -3.044 -5.031 1.00 0.00 C ATOM 1201 O TYR A 77 1.617 -3.801 -4.702 1.00 0.00 O ATOM 1202 CB TYR A 77 4.595 -4.081 -5.991 1.00 0.00 C ATOM 1203 CG TYR A 77 4.136 -5.508 -6.190 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.812 -6.565 -5.593 1.00 0.00 C ATOM 1205 CD2 TYR A 77 3.028 -5.800 -6.975 1.00 0.00 C ATOM 1206 CE1 TYR A 77 4.398 -7.871 -5.772 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.605 -7.102 -7.158 1.00 0.00 C ATOM 1208 CZ TYR A 77 3.293 -8.134 -6.555 1.00 0.00 C ATOM 1209 OH TYR A 77 2.876 -9.433 -6.736 1.00 0.00 O ATOM 0 H TYR A 77 3.256 -4.825 -3.397 1.00 0.00 H new ATOM 0 HA TYR A 77 4.537 -2.492 -4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.339 -3.499 -6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.681 -4.066 -5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.676 -6.362 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.488 -4.995 -7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.936 -8.681 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.740 -7.311 -7.770 1.00 0.00 H new ATOM 0 HH TYR A 77 2.084 -9.445 -7.313 1.00 0.00 H new ATOM 1219 N VAL A 78 2.322 -1.879 -5.636 1.00 0.00 N ATOM 1220 CA VAL A 78 0.977 -1.414 -5.955 1.00 0.00 C ATOM 1221 C VAL A 78 0.689 -1.546 -7.446 1.00 0.00 C ATOM 1222 O VAL A 78 1.530 -1.216 -8.283 1.00 0.00 O ATOM 1223 CB VAL A 78 0.777 0.054 -5.532 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.471 0.631 -6.184 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.698 0.166 -4.017 1.00 0.00 C ATOM 0 H VAL A 78 3.067 -1.240 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 78 0.283 -2.043 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 78 1.636 0.633 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.597 1.668 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.369 0.586 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.342 0.053 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.557 1.210 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.142 -0.425 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.623 -0.206 -3.576 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.504 -2.030 -7.771 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.905 -2.206 -9.163 1.00 0.00 C ATOM 1237 C LEU A 79 -2.262 -1.561 -9.425 1.00 0.00 C ATOM 1238 O LEU A 79 -3.307 -2.153 -9.153 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.959 -3.694 -9.515 1.00 0.00 C ATOM 1240 CG LEU A 79 0.282 -4.513 -9.158 1.00 0.00 C ATOM 1241 CD1 LEU A 79 0.055 -5.986 -9.463 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.499 -3.993 -9.909 1.00 0.00 C ATOM 0 H LEU A 79 -1.211 -2.308 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.163 -1.716 -9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.819 -4.135 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.136 -3.787 -10.587 1.00 0.00 H new ATOM 0 HG LEU A 79 0.468 -4.408 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.949 -6.553 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.790 -6.352 -8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.156 -6.109 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.373 -4.588 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.323 -4.067 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.674 -2.951 -9.641 1.00 0.00 H new ATOM 1254 N THR A 80 -2.239 -0.342 -9.957 1.00 0.00 N ATOM 1255 CA THR A 80 -3.467 0.384 -10.257 1.00 0.00 C ATOM 1256 C THR A 80 -3.889 0.174 -11.706 1.00 0.00 C ATOM 1257 O THR A 80 -3.301 0.727 -12.636 1.00 0.00 O ATOM 1258 CB THR A 80 -3.305 1.893 -9.994 1.00 0.00 C ATOM 1259 OG1 THR A 80 -2.563 2.499 -11.058 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.596 2.139 -8.671 1.00 0.00 C ATOM 0 H THR A 80 -1.383 0.163 -10.189 1.00 0.00 H new ATOM 0 HA THR A 80 -4.238 -0.012 -9.596 1.00 0.00 H new ATOM 0 HB THR A 80 -4.298 2.339 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.227 1.803 -11.660 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.493 3.212 -8.507 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.178 1.702 -7.860 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.608 1.680 -8.697 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.934 -0.644 -11.906 1.00 0.00 N ATOM 1269 CA PRO A 81 -5.459 -0.944 -13.241 1.00 0.00 C ATOM 1270 C PRO A 81 -6.153 0.257 -13.875 1.00 0.00 C ATOM 1271 O PRO A 81 -5.884 0.605 -15.025 1.00 0.00 O ATOM 1272 CB PRO A 81 -6.466 -2.067 -12.982 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.886 -1.880 -11.565 1.00 0.00 C ATOM 1274 CD PRO A 81 -5.682 -1.337 -10.845 1.00 0.00 C ATOM 0 HA PRO A 81 -4.667 -1.215 -13.939 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.317 -1.999 -13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.014 -3.047 -13.135 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.727 -1.190 -11.495 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.211 -2.824 -11.126 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.967 -0.656 -10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.092 -2.133 -10.392 1.00 0.00 H new ATOM 1282 N ASP A 82 -7.044 0.887 -13.118 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.775 2.051 -13.606 1.00 0.00 C ATOM 1284 C ASP A 82 -6.856 3.263 -13.715 1.00 0.00 C ATOM 1285 O ASP A 82 -6.577 3.747 -14.813 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.949 2.368 -12.678 1.00 0.00 C ATOM 1287 CG ASP A 82 -10.089 1.379 -12.829 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -10.542 1.167 -13.973 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -10.528 0.818 -11.803 1.00 0.00 O ATOM 0 H ASP A 82 -7.278 0.612 -12.164 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.159 1.818 -14.599 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.603 2.364 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.314 3.373 -12.888 1.00 0.00 H new ATOM 1294 N LEU A 83 -6.389 3.750 -12.571 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.501 4.907 -12.537 1.00 0.00 C ATOM 1296 C LEU A 83 -4.461 4.829 -13.651 1.00 0.00 C ATOM 1297 O LEU A 83 -3.668 3.891 -13.728 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.804 5.001 -11.179 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.432 6.409 -10.711 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.680 7.195 -10.340 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.472 6.342 -9.533 1.00 0.00 C ATOM 0 H LEU A 83 -6.610 3.362 -11.654 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.105 5.801 -12.691 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.453 4.550 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.895 4.401 -11.217 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.934 6.925 -11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.396 8.194 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.333 7.272 -11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.207 6.683 -9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.218 7.352 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.945 5.808 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.565 5.817 -9.832 1.00 0.00 H new