USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 685 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 86 ASN :FLIP amide:sc= -2.62! C(o=-6.5!,f=-3.6!) USER MOD Set 1.2: A 108 GLN : amide:sc= -1! C(o=-3.6!,f=-14!) USER MOD Set 2.1: A 34 GLN : amide:sc= -2.13! C(o=-1.7!,f=-1.9!) USER MOD Set 2.2: A 76 THR OG1 : rot 26:sc= 0.445 USER MOD Set 3.1: A 45 SER OG : rot 70:sc= -4.99! USER MOD Set 3.2: A 95 ASN : amide:sc= -13! C(o=-18!,f=-29!) USER MOD Set 4.1: A 18 ASN :FLIP amide:sc= 0 F(o=-3,f=-1.4) USER MOD Set 4.2: A 43 ASN :FLIP amide:sc= -1.38 F(o=-2.4!,f=-1.4) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.773! X(o=-0.77!,f=-0.94) USER MOD Single : A 48 THR OG1 : rot -9:sc= -1.58 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -143:sc= -0.482 (180deg=-2.04!) USER MOD Single : A 59 HIS : no HD1:sc= -0.765 K(o=-0.77,f=-2.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.143 F(o=-1,f=-0.14) USER MOD Single : A 66 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-2.5) USER MOD Single : A 67 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -7.2! C(o=-11!,f=-7.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -96:sc= -2.17 USER MOD Single : A 88 SER OG : rot 180:sc= -0.11 USER MOD Single : A 92 MET CE :methyl 146:sc= -5.33 (180deg=-7.42!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -142:sc= -0.319 (180deg=-0.555) USER MOD Single : A 100 SER OG : rot -165:sc= 1.02 USER MOD Single : A 103 SER OG : rot 82:sc= -0.827 USER MOD Single : A 106 SER OG : rot 37:sc= -2.73 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.310 -11.247 -7.119 1.00 0.00 N ATOM 133 CA VAL A 13 -27.160 -9.802 -7.139 1.00 0.00 C ATOM 134 C VAL A 13 -25.697 -9.442 -6.877 1.00 0.00 C ATOM 135 O VAL A 13 -25.202 -9.610 -5.763 1.00 0.00 O ATOM 136 CB VAL A 13 -28.122 -9.162 -6.136 1.00 0.00 C ATOM 137 CG1 VAL A 13 -27.911 -9.733 -4.732 1.00 0.00 C ATOM 138 CG2 VAL A 13 -27.981 -7.639 -6.136 1.00 0.00 C ATOM 0 HA VAL A 13 -27.422 -9.404 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.139 -9.404 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.607 -9.261 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.087 -10.809 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -26.889 -9.537 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.676 -7.209 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -26.961 -7.368 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.205 -7.253 -7.130 1.00 0.00 H new ATOM 148 N TYR A 14 -25.045 -8.952 -7.921 1.00 0.00 N ATOM 149 CA TYR A 14 -23.648 -8.567 -7.818 1.00 0.00 C ATOM 150 C TYR A 14 -23.513 -7.093 -7.430 1.00 0.00 C ATOM 151 O TYR A 14 -24.513 -6.413 -7.203 1.00 0.00 O ATOM 152 CB TYR A 14 -23.049 -8.771 -9.211 1.00 0.00 C ATOM 153 CG TYR A 14 -23.234 -10.185 -9.766 1.00 0.00 C ATOM 154 CD1 TYR A 14 -22.416 -11.209 -9.333 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.220 -10.437 -10.699 1.00 0.00 C ATOM 156 CE1 TYR A 14 -22.590 -12.540 -9.856 1.00 0.00 C ATOM 157 CE2 TYR A 14 -24.394 -11.768 -11.221 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.570 -12.753 -10.774 1.00 0.00 C ATOM 159 OH TYR A 14 -23.735 -14.010 -11.267 1.00 0.00 O ATOM 0 H TYR A 14 -25.459 -8.813 -8.843 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.143 -9.159 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.505 -8.059 -9.899 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -21.984 -8.542 -9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.646 -11.012 -8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -24.861 -9.636 -11.037 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -21.956 -13.350 -9.526 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -25.162 -11.979 -11.951 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.472 -14.014 -11.913 1.00 0.00 H new ATOM 169 N ASP A 15 -22.269 -6.642 -7.365 1.00 0.00 N ATOM 170 CA ASP A 15 -21.990 -5.261 -7.008 1.00 0.00 C ATOM 171 C ASP A 15 -20.497 -5.107 -6.712 1.00 0.00 C ATOM 172 O ASP A 15 -20.120 -4.566 -5.674 1.00 0.00 O ATOM 173 CB ASP A 15 -22.766 -4.849 -5.756 1.00 0.00 C ATOM 174 CG ASP A 15 -24.109 -4.166 -6.023 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.252 -3.610 -7.133 1.00 0.00 O ATOM 176 OD2 ASP A 15 -24.962 -4.215 -5.111 1.00 0.00 O ATOM 0 H ASP A 15 -21.442 -7.209 -7.554 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.291 -4.629 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -22.941 -5.736 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.144 -4.176 -5.166 1.00 0.00 H new ATOM 181 N VAL A 16 -19.689 -5.591 -7.643 1.00 0.00 N ATOM 182 CA VAL A 16 -18.245 -5.514 -7.494 1.00 0.00 C ATOM 183 C VAL A 16 -17.850 -6.043 -6.114 1.00 0.00 C ATOM 184 O VAL A 16 -18.687 -6.135 -5.217 1.00 0.00 O ATOM 185 CB VAL A 16 -17.770 -4.081 -7.744 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.087 -3.639 -9.174 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.377 -3.116 -6.724 1.00 0.00 C ATOM 0 H VAL A 16 -20.006 -6.038 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.750 -6.141 -8.236 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.687 -4.061 -7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.739 -2.617 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.585 -4.301 -9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.164 -3.683 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.023 -2.105 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.464 -3.142 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.077 -3.413 -5.719 1.00 0.00 H new ATOM 197 N PRO A 17 -16.540 -6.385 -5.984 1.00 0.00 N ATOM 198 CA PRO A 17 -16.023 -6.903 -4.728 1.00 0.00 C ATOM 199 C PRO A 17 -15.870 -5.784 -3.696 1.00 0.00 C ATOM 200 O PRO A 17 -15.157 -4.810 -3.932 1.00 0.00 O ATOM 201 CB PRO A 17 -14.703 -7.564 -5.088 1.00 0.00 C ATOM 202 CG PRO A 17 -14.305 -6.992 -6.439 1.00 0.00 C ATOM 203 CD PRO A 17 -15.520 -6.289 -7.024 1.00 0.00 C ATOM 0 HA PRO A 17 -16.697 -7.620 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.943 -7.354 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.810 -8.648 -5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.476 -6.293 -6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.966 -7.786 -7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.298 -5.250 -7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.849 -6.768 -7.946 1.00 0.00 H new ATOM 211 N ASN A 18 -16.550 -5.961 -2.573 1.00 0.00 N ATOM 212 CA ASN A 18 -16.498 -4.978 -1.503 1.00 0.00 C ATOM 213 C ASN A 18 -15.050 -4.530 -1.299 1.00 0.00 C ATOM 214 O ASN A 18 -14.120 -5.192 -1.757 1.00 0.00 O ATOM 215 CB ASN A 18 -17.000 -5.571 -0.185 1.00 0.00 C ATOM 216 CG ASN A 18 -18.510 -5.379 -0.037 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.182 -5.469 -1.182 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.031 -5.163 1.044 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.140 -6.770 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.133 -4.138 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.759 -6.633 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.486 -5.096 0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.456 -5.106 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.041 -5.039 1.107 1.00 0.00 H new ATOM 225 N PRO A 19 -14.899 -3.378 -0.592 1.00 0.00 N ATOM 226 CA PRO A 19 -13.580 -2.833 -0.321 1.00 0.00 C ATOM 227 C PRO A 19 -12.868 -3.636 0.770 1.00 0.00 C ATOM 228 O PRO A 19 -13.505 -4.124 1.702 1.00 0.00 O ATOM 229 CB PRO A 19 -13.825 -1.385 0.072 1.00 0.00 C ATOM 230 CG PRO A 19 -15.293 -1.300 0.456 1.00 0.00 C ATOM 231 CD PRO A 19 -15.977 -2.566 -0.034 1.00 0.00 C ATOM 0 HA PRO A 19 -12.916 -2.891 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.186 -1.093 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.598 -0.712 -0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.400 -1.202 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.754 -0.419 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.482 -3.084 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.734 -2.342 -0.786 1.00 0.00 H new ATOM 239 N PRO A 20 -11.522 -3.751 0.613 1.00 0.00 N ATOM 240 CA PRO A 20 -10.717 -4.486 1.574 1.00 0.00 C ATOM 241 C PRO A 20 -10.533 -3.684 2.863 1.00 0.00 C ATOM 242 O PRO A 20 -10.624 -2.457 2.854 1.00 0.00 O ATOM 243 CB PRO A 20 -9.406 -4.765 0.856 1.00 0.00 C ATOM 244 CG PRO A 20 -9.347 -3.782 -0.301 1.00 0.00 C ATOM 245 CD PRO A 20 -10.734 -3.186 -0.478 1.00 0.00 C ATOM 0 HA PRO A 20 -11.188 -5.416 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.557 -4.630 1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.369 -5.793 0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.618 -2.998 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.029 -4.286 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.707 -2.098 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.156 -3.447 -1.448 1.00 0.00 H new ATOM 253 N PHE A 21 -10.278 -4.409 3.942 1.00 0.00 N ATOM 254 CA PHE A 21 -10.081 -3.781 5.237 1.00 0.00 C ATOM 255 C PHE A 21 -8.900 -4.411 5.979 1.00 0.00 C ATOM 256 O PHE A 21 -8.227 -5.292 5.446 1.00 0.00 O ATOM 257 CB PHE A 21 -11.359 -4.013 6.047 1.00 0.00 C ATOM 258 CG PHE A 21 -11.710 -5.489 6.245 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.217 -6.167 7.316 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.515 -6.122 5.351 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.543 -7.536 7.501 1.00 0.00 C ATOM 262 CE2 PHE A 21 -12.841 -7.492 5.536 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.348 -8.170 6.606 1.00 0.00 C ATOM 0 H PHE A 21 -10.203 -5.426 3.946 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.869 -2.720 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.249 -3.542 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.190 -3.516 5.546 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.577 -5.664 8.026 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.906 -5.584 4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.152 -8.074 8.352 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.481 -7.995 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.595 -9.212 6.746 1.00 0.00 H new ATOM 273 N ASP A 22 -8.686 -3.935 7.197 1.00 0.00 N ATOM 274 CA ASP A 22 -7.598 -4.441 8.017 1.00 0.00 C ATOM 275 C ASP A 22 -6.263 -4.117 7.343 1.00 0.00 C ATOM 276 O ASP A 22 -5.225 -4.656 7.722 1.00 0.00 O ATOM 277 CB ASP A 22 -7.690 -5.960 8.177 1.00 0.00 C ATOM 278 CG ASP A 22 -8.058 -6.440 9.582 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.356 -6.021 10.528 1.00 0.00 O ATOM 280 OD2 ASP A 22 -9.034 -7.215 9.679 1.00 0.00 O ATOM 0 H ASP A 22 -9.247 -3.205 7.636 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.667 -3.970 8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.431 -6.340 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.732 -6.398 7.899 1.00 0.00 H new ATOM 285 N LEU A 23 -6.334 -3.237 6.355 1.00 0.00 N ATOM 286 CA LEU A 23 -5.144 -2.834 5.624 1.00 0.00 C ATOM 287 C LEU A 23 -3.989 -2.639 6.608 1.00 0.00 C ATOM 288 O LEU A 23 -4.091 -1.843 7.540 1.00 0.00 O ATOM 289 CB LEU A 23 -5.435 -1.602 4.764 1.00 0.00 C ATOM 290 CG LEU A 23 -5.383 -1.814 3.250 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.580 -2.638 2.771 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.275 -0.478 2.512 1.00 0.00 C ATOM 0 H LEU A 23 -7.197 -2.792 6.043 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.841 -3.616 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.425 -1.227 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.720 -0.823 5.027 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.484 -2.384 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.519 -2.774 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.571 -3.612 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.504 -2.116 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.240 -0.658 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.142 0.139 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.367 0.037 2.824 1.00 0.00 H new ATOM 304 N GLU A 24 -2.917 -3.379 6.366 1.00 0.00 N ATOM 305 CA GLU A 24 -1.743 -3.297 7.219 1.00 0.00 C ATOM 306 C GLU A 24 -0.470 -3.296 6.371 1.00 0.00 C ATOM 307 O GLU A 24 -0.522 -3.531 5.165 1.00 0.00 O ATOM 308 CB GLU A 24 -1.724 -4.440 8.236 1.00 0.00 C ATOM 309 CG GLU A 24 -2.206 -3.962 9.607 1.00 0.00 C ATOM 310 CD GLU A 24 -3.133 -4.994 10.253 1.00 0.00 C ATOM 311 OE1 GLU A 24 -2.596 -6.007 10.749 1.00 0.00 O ATOM 312 OE2 GLU A 24 -4.358 -4.745 10.235 1.00 0.00 O ATOM 0 H GLU A 24 -2.837 -4.038 5.592 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.786 -2.360 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.360 -5.253 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.713 -4.839 8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.349 -3.782 10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.731 -3.012 9.501 1.00 0.00 H new ATOM 319 N LEU A 25 0.645 -3.028 7.036 1.00 0.00 N ATOM 320 CA LEU A 25 1.930 -2.993 6.358 1.00 0.00 C ATOM 321 C LEU A 25 2.957 -3.772 7.182 1.00 0.00 C ATOM 322 O LEU A 25 3.195 -3.455 8.346 1.00 0.00 O ATOM 323 CB LEU A 25 2.343 -1.549 6.067 1.00 0.00 C ATOM 324 CG LEU A 25 1.681 -0.893 4.854 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.314 0.563 5.150 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.564 -1.021 3.611 1.00 0.00 C ATOM 0 H LEU A 25 0.685 -2.833 8.036 1.00 0.00 H new ATOM 0 HA LEU A 25 1.862 -3.483 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.123 -0.945 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.423 -1.523 5.925 1.00 0.00 H new ATOM 0 HG LEU A 25 0.752 -1.423 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.845 1.006 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.620 0.600 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.216 1.122 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.070 -0.546 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.521 -0.533 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.731 -2.075 3.390 1.00 0.00 H new ATOM 445 N VAL A 33 8.374 -3.206 0.537 1.00 0.00 N ATOM 446 CA VAL A 33 7.426 -3.459 1.609 1.00 0.00 C ATOM 447 C VAL A 33 6.193 -4.161 1.038 1.00 0.00 C ATOM 448 O VAL A 33 5.704 -3.795 -0.030 1.00 0.00 O ATOM 449 CB VAL A 33 7.090 -2.152 2.330 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.279 -1.221 1.427 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.351 -2.424 3.642 1.00 0.00 C ATOM 0 HA VAL A 33 7.862 -4.123 2.355 1.00 0.00 H new ATOM 0 HB VAL A 33 8.028 -1.652 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.053 -0.299 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.856 -0.988 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.349 -1.711 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.124 -1.478 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.423 -2.956 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.979 -3.031 4.294 1.00 0.00 H new ATOM 461 N GLN A 34 5.724 -5.158 1.774 1.00 0.00 N ATOM 462 CA GLN A 34 4.557 -5.915 1.354 1.00 0.00 C ATOM 463 C GLN A 34 3.287 -5.309 1.955 1.00 0.00 C ATOM 464 O GLN A 34 3.265 -4.943 3.129 1.00 0.00 O ATOM 465 CB GLN A 34 4.694 -7.390 1.735 1.00 0.00 C ATOM 466 CG GLN A 34 3.527 -8.210 1.181 1.00 0.00 C ATOM 467 CD GLN A 34 3.998 -9.155 0.074 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.320 -8.748 -1.031 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.021 -10.437 0.430 1.00 0.00 N ATOM 0 H GLN A 34 6.131 -5.459 2.659 1.00 0.00 H new ATOM 0 HA GLN A 34 4.484 -5.860 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.635 -7.783 1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.729 -7.487 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.068 -8.786 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.760 -7.541 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.739 -10.710 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.321 -11.147 -0.238 1.00 0.00 H new ATOM 478 N LEU A 35 2.261 -5.222 1.122 1.00 0.00 N ATOM 479 CA LEU A 35 0.990 -4.666 1.556 1.00 0.00 C ATOM 480 C LEU A 35 -0.043 -5.790 1.663 1.00 0.00 C ATOM 481 O LEU A 35 -0.436 -6.374 0.654 1.00 0.00 O ATOM 482 CB LEU A 35 0.562 -3.523 0.634 1.00 0.00 C ATOM 483 CG LEU A 35 -0.845 -2.966 0.864 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.957 -2.314 2.243 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.245 -2.007 -0.258 1.00 0.00 C ATOM 0 H LEU A 35 2.283 -5.527 0.149 1.00 0.00 H new ATOM 0 HA LEU A 35 1.086 -4.225 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.277 -2.707 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.630 -3.870 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.550 -3.797 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.966 -1.926 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.744 -3.054 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.241 -1.496 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.249 -1.626 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.542 -1.175 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.230 -2.536 -1.211 1.00 0.00 H new ATOM 497 N SER A 36 -0.454 -6.058 2.893 1.00 0.00 N ATOM 498 CA SER A 36 -1.434 -7.101 3.145 1.00 0.00 C ATOM 499 C SER A 36 -2.825 -6.485 3.306 1.00 0.00 C ATOM 500 O SER A 36 -3.043 -5.658 4.191 1.00 0.00 O ATOM 501 CB SER A 36 -1.066 -7.914 4.388 1.00 0.00 C ATOM 502 OG SER A 36 0.289 -8.354 4.357 1.00 0.00 O ATOM 0 H SER A 36 -0.126 -5.571 3.727 1.00 0.00 H new ATOM 0 HA SER A 36 -1.440 -7.778 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.230 -7.308 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.726 -8.778 4.464 1.00 0.00 H new ATOM 0 HG SER A 36 0.485 -8.868 5.168 1.00 0.00 H new ATOM 508 N TRP A 37 -3.730 -6.910 2.437 1.00 0.00 N ATOM 509 CA TRP A 37 -5.094 -6.410 2.471 1.00 0.00 C ATOM 510 C TRP A 37 -6.030 -7.605 2.660 1.00 0.00 C ATOM 511 O TRP A 37 -5.633 -8.749 2.449 1.00 0.00 O ATOM 512 CB TRP A 37 -5.411 -5.594 1.217 1.00 0.00 C ATOM 513 CG TRP A 37 -5.279 -6.383 -0.088 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.230 -7.069 -0.736 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.084 -6.539 -0.882 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.738 -7.654 -1.885 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.391 -7.322 -1.976 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.787 -6.036 -0.681 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.454 -7.671 -2.956 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.862 -6.394 -1.669 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.155 -7.181 -2.777 1.00 0.00 C ATOM 0 H TRP A 37 -3.545 -7.595 1.705 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.233 -5.723 3.306 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.427 -5.207 1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.744 -4.733 1.178 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.253 -7.154 -0.401 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.265 -8.225 -2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.525 -5.422 0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.719 -8.285 -3.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.850 -6.033 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.384 -7.413 -3.496 1.00 0.00 H new ATOM 532 N THR A 38 -7.257 -7.298 3.056 1.00 0.00 N ATOM 533 CA THR A 38 -8.253 -8.332 3.276 1.00 0.00 C ATOM 534 C THR A 38 -9.492 -8.071 2.417 1.00 0.00 C ATOM 535 O THR A 38 -10.251 -7.140 2.681 1.00 0.00 O ATOM 536 CB THR A 38 -8.555 -8.387 4.775 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.331 -8.824 5.360 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.553 -9.491 5.131 1.00 0.00 C ATOM 0 H THR A 38 -7.583 -6.347 3.230 1.00 0.00 H new ATOM 0 HA THR A 38 -7.882 -9.309 2.968 1.00 0.00 H new ATOM 0 HB THR A 38 -8.947 -7.424 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.437 -8.886 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.732 -9.487 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.492 -9.316 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.147 -10.458 4.835 1.00 0.00 H new ATOM 546 N PRO A 39 -9.662 -8.931 1.377 1.00 0.00 N ATOM 547 CA PRO A 39 -10.795 -8.802 0.477 1.00 0.00 C ATOM 548 C PRO A 39 -12.082 -9.296 1.141 1.00 0.00 C ATOM 549 O PRO A 39 -12.296 -10.500 1.271 1.00 0.00 O ATOM 550 CB PRO A 39 -10.414 -9.610 -0.753 1.00 0.00 C ATOM 551 CG PRO A 39 -9.293 -10.537 -0.312 1.00 0.00 C ATOM 552 CD PRO A 39 -8.784 -10.045 1.033 1.00 0.00 C ATOM 0 HA PRO A 39 -11.003 -7.766 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.266 -10.178 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.086 -8.958 -1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.655 -11.562 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.488 -10.540 -1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.830 -10.832 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.744 -9.725 0.970 1.00 0.00 H new ATOM 560 N GLY A 40 -12.906 -8.340 1.545 1.00 0.00 N ATOM 561 CA GLY A 40 -14.166 -8.662 2.192 1.00 0.00 C ATOM 562 C GLY A 40 -15.058 -9.499 1.272 1.00 0.00 C ATOM 563 O GLY A 40 -14.571 -10.375 0.560 1.00 0.00 O ATOM 0 H GLY A 40 -12.725 -7.342 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.975 -9.209 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.683 -7.743 2.467 1.00 0.00 H new ATOM 567 N ASP A 41 -16.347 -9.198 1.318 1.00 0.00 N ATOM 568 CA ASP A 41 -17.311 -9.912 0.497 1.00 0.00 C ATOM 569 C ASP A 41 -16.980 -9.690 -0.980 1.00 0.00 C ATOM 570 O ASP A 41 -16.415 -8.660 -1.345 1.00 0.00 O ATOM 571 CB ASP A 41 -18.731 -9.400 0.745 1.00 0.00 C ATOM 572 CG ASP A 41 -19.145 -9.328 2.217 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.832 -8.294 2.845 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.765 -10.309 2.680 1.00 0.00 O ATOM 0 H ASP A 41 -16.747 -8.470 1.910 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.258 -10.969 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.824 -8.406 0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.432 -10.047 0.217 1.00 0.00 H new ATOM 579 N ASP A 42 -17.346 -10.672 -1.790 1.00 0.00 N ATOM 580 CA ASP A 42 -17.095 -10.597 -3.219 1.00 0.00 C ATOM 581 C ASP A 42 -18.400 -10.266 -3.945 1.00 0.00 C ATOM 582 O ASP A 42 -18.383 -9.864 -5.107 1.00 0.00 O ATOM 583 CB ASP A 42 -16.580 -11.933 -3.758 1.00 0.00 C ATOM 584 CG ASP A 42 -15.668 -12.707 -2.805 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.936 -12.034 -2.048 1.00 0.00 O ATOM 586 OD2 ASP A 42 -15.723 -13.955 -2.855 1.00 0.00 O ATOM 0 H ASP A 42 -17.815 -11.525 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.344 -9.825 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.435 -12.561 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.038 -11.749 -4.686 1.00 0.00 H new ATOM 591 N ASN A 43 -19.501 -10.447 -3.229 1.00 0.00 N ATOM 592 CA ASN A 43 -20.812 -10.172 -3.791 1.00 0.00 C ATOM 593 C ASN A 43 -21.037 -11.066 -5.012 1.00 0.00 C ATOM 594 O ASN A 43 -21.096 -10.580 -6.140 1.00 0.00 O ATOM 595 CB ASN A 43 -20.923 -8.715 -4.245 1.00 0.00 C ATOM 596 CG ASN A 43 -21.055 -7.775 -3.045 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.170 -8.004 -2.079 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -21.903 -6.900 -3.000 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.511 -10.781 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.557 -10.367 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.043 -8.444 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.787 -8.599 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.552 -6.778 -3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.963 -6.290 -2.185 1.00 0.00 H new ATOM 605 N ASN A 44 -21.157 -12.359 -4.745 1.00 0.00 N ATOM 606 CA ASN A 44 -21.374 -13.325 -5.808 1.00 0.00 C ATOM 607 C ASN A 44 -20.128 -13.392 -6.693 1.00 0.00 C ATOM 608 O ASN A 44 -19.494 -14.440 -6.801 1.00 0.00 O ATOM 609 CB ASN A 44 -22.558 -12.920 -6.687 1.00 0.00 C ATOM 610 CG ASN A 44 -23.884 -13.124 -5.951 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.333 -14.235 -5.725 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.482 -11.992 -5.591 1.00 0.00 N ATOM 0 H ASN A 44 -21.108 -12.759 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.581 -14.291 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.458 -11.875 -6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.553 -13.509 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.372 -12.021 -5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.050 -11.095 -5.812 1.00 0.00 H new ATOM 619 N SER A 45 -19.814 -12.259 -7.304 1.00 0.00 N ATOM 620 CA SER A 45 -18.655 -12.175 -8.176 1.00 0.00 C ATOM 621 C SER A 45 -17.371 -12.202 -7.345 1.00 0.00 C ATOM 622 O SER A 45 -17.132 -11.307 -6.536 1.00 0.00 O ATOM 623 CB SER A 45 -18.704 -10.911 -9.037 1.00 0.00 C ATOM 624 OG SER A 45 -17.523 -10.751 -9.818 1.00 0.00 O ATOM 0 H SER A 45 -20.342 -11.391 -7.212 1.00 0.00 H new ATOM 0 HA SER A 45 -18.666 -13.037 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.571 -10.955 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 45 -18.835 -10.040 -8.395 1.00 0.00 H new ATOM 0 HG SER A 45 -17.500 -11.435 -10.519 1.00 0.00 H new ATOM 630 N PRO A 46 -16.557 -13.266 -7.579 1.00 0.00 N ATOM 631 CA PRO A 46 -15.303 -13.421 -6.861 1.00 0.00 C ATOM 632 C PRO A 46 -14.245 -12.451 -7.390 1.00 0.00 C ATOM 633 O PRO A 46 -14.303 -12.033 -8.545 1.00 0.00 O ATOM 634 CB PRO A 46 -14.920 -14.880 -7.050 1.00 0.00 C ATOM 635 CG PRO A 46 -15.722 -15.370 -8.245 1.00 0.00 C ATOM 636 CD PRO A 46 -16.808 -14.345 -8.530 1.00 0.00 C ATOM 0 HA PRO A 46 -15.392 -13.180 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.850 -14.983 -7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.151 -15.463 -6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.076 -15.493 -9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.163 -16.345 -8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.755 -13.987 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.801 -14.772 -8.392 1.00 0.00 H new ATOM 644 N ILE A 47 -13.302 -12.122 -6.519 1.00 0.00 N ATOM 645 CA ILE A 47 -12.232 -11.209 -6.884 1.00 0.00 C ATOM 646 C ILE A 47 -11.377 -11.845 -7.982 1.00 0.00 C ATOM 647 O ILE A 47 -11.140 -13.052 -7.968 1.00 0.00 O ATOM 648 CB ILE A 47 -11.435 -10.796 -5.645 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.447 -9.277 -5.467 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.012 -11.356 -5.697 1.00 0.00 C ATOM 651 CD1 ILE A 47 -10.602 -8.592 -6.543 1.00 0.00 C ATOM 0 H ILE A 47 -13.257 -12.471 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.642 -10.286 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.919 -11.227 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.472 -8.910 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.063 -9.020 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.467 -11.048 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.051 -12.444 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.503 -10.975 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.628 -7.513 -6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.572 -8.943 -6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.003 -8.831 -7.528 1.00 0.00 H new ATOM 663 N THR A 48 -10.937 -11.005 -8.907 1.00 0.00 N ATOM 664 CA THR A 48 -10.114 -11.470 -10.010 1.00 0.00 C ATOM 665 C THR A 48 -8.791 -10.703 -10.047 1.00 0.00 C ATOM 666 O THR A 48 -7.759 -11.255 -10.428 1.00 0.00 O ATOM 667 CB THR A 48 -10.930 -11.338 -11.297 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.257 -9.953 -11.360 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.287 -12.038 -11.205 1.00 0.00 C ATOM 0 H THR A 48 -11.135 -10.004 -8.915 1.00 0.00 H new ATOM 0 HA THR A 48 -9.842 -12.518 -9.887 1.00 0.00 H new ATOM 0 HB THR A 48 -10.363 -11.754 -12.130 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.999 -9.518 -10.521 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.825 -11.913 -12.145 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.136 -13.100 -11.011 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.868 -11.600 -10.393 1.00 0.00 H new ATOM 677 N LYS A 49 -8.863 -9.441 -9.648 1.00 0.00 N ATOM 678 CA LYS A 49 -7.684 -8.593 -9.631 1.00 0.00 C ATOM 679 C LYS A 49 -7.779 -7.617 -8.457 1.00 0.00 C ATOM 680 O LYS A 49 -8.872 -7.336 -7.966 1.00 0.00 O ATOM 681 CB LYS A 49 -7.498 -7.908 -10.987 1.00 0.00 C ATOM 682 CG LYS A 49 -6.910 -6.505 -10.816 1.00 0.00 C ATOM 683 CD LYS A 49 -6.556 -5.890 -12.171 1.00 0.00 C ATOM 684 CE LYS A 49 -7.818 -5.550 -12.966 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.637 -5.884 -14.396 1.00 0.00 N ATOM 0 H LYS A 49 -9.720 -8.986 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.786 -9.192 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.839 -8.508 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.457 -7.844 -11.501 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.627 -5.867 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.018 -6.554 -10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.963 -4.988 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.940 -6.586 -12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.668 -6.101 -12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.046 -4.489 -12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.503 -5.647 -14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.839 -5.340 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.441 -6.901 -14.493 1.00 0.00 H new ATOM 699 N PHE A 50 -6.621 -7.127 -8.040 1.00 0.00 N ATOM 700 CA PHE A 50 -6.560 -6.189 -6.932 1.00 0.00 C ATOM 701 C PHE A 50 -5.638 -5.013 -7.260 1.00 0.00 C ATOM 702 O PHE A 50 -4.418 -5.169 -7.303 1.00 0.00 O ATOM 703 CB PHE A 50 -5.992 -6.949 -5.732 1.00 0.00 C ATOM 704 CG PHE A 50 -7.018 -7.822 -5.006 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.099 -7.249 -4.413 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.847 -9.170 -4.954 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.051 -8.059 -3.739 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.799 -9.980 -4.280 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.881 -9.408 -3.687 1.00 0.00 C ATOM 0 H PHE A 50 -5.717 -7.362 -8.450 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.554 -5.791 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.169 -7.579 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.575 -6.232 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.234 -6.178 -4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.988 -9.624 -5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.910 -7.604 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.664 -11.051 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.605 -10.024 -3.175 1.00 0.00 H new ATOM 719 N ILE A 51 -6.255 -3.862 -7.482 1.00 0.00 N ATOM 720 CA ILE A 51 -5.504 -2.660 -7.804 1.00 0.00 C ATOM 721 C ILE A 51 -5.124 -1.939 -6.509 1.00 0.00 C ATOM 722 O ILE A 51 -5.771 -2.123 -5.479 1.00 0.00 O ATOM 723 CB ILE A 51 -6.287 -1.787 -8.787 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.478 -2.504 -10.125 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.619 -0.421 -8.959 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.964 -2.716 -10.426 1.00 0.00 C ATOM 0 H ILE A 51 -7.267 -3.736 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.574 -2.916 -8.311 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.279 -1.610 -8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.021 -1.919 -10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.967 -3.466 -10.102 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.195 0.180 -9.663 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.578 0.088 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.607 -0.556 -9.341 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.072 -3.228 -11.382 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.412 -3.321 -9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.467 -1.750 -10.472 1.00 0.00 H new ATOM 738 N ILE A 52 -4.076 -1.134 -6.604 1.00 0.00 N ATOM 739 CA ILE A 52 -3.602 -0.385 -5.453 1.00 0.00 C ATOM 740 C ILE A 52 -3.347 1.067 -5.864 1.00 0.00 C ATOM 741 O ILE A 52 -2.777 1.325 -6.923 1.00 0.00 O ATOM 742 CB ILE A 52 -2.383 -1.071 -4.832 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.780 -2.380 -4.147 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.648 -0.125 -3.879 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.107 -3.577 -4.822 1.00 0.00 C ATOM 0 H ILE A 52 -3.542 -0.984 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.362 -0.367 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.689 -1.325 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.497 -2.345 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.863 -2.499 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.786 -0.637 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.312 0.755 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.322 0.181 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.406 -4.495 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.411 -3.623 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.024 -3.466 -4.764 1.00 0.00 H new ATOM 757 N GLU A 53 -3.782 1.977 -5.005 1.00 0.00 N ATOM 758 CA GLU A 53 -3.609 3.396 -5.266 1.00 0.00 C ATOM 759 C GLU A 53 -2.949 4.079 -4.067 1.00 0.00 C ATOM 760 O GLU A 53 -2.965 3.546 -2.958 1.00 0.00 O ATOM 761 CB GLU A 53 -4.945 4.058 -5.607 1.00 0.00 C ATOM 762 CG GLU A 53 -5.366 3.734 -7.042 1.00 0.00 C ATOM 763 CD GLU A 53 -6.829 4.112 -7.282 1.00 0.00 C ATOM 764 OE1 GLU A 53 -7.683 3.570 -6.547 1.00 0.00 O ATOM 765 OE2 GLU A 53 -7.061 4.933 -8.195 1.00 0.00 O ATOM 0 H GLU A 53 -4.254 1.759 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.954 3.509 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.712 3.716 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.862 5.138 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.728 4.273 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.225 2.671 -7.235 1.00 0.00 H new ATOM 772 N TYR A 54 -2.384 5.248 -4.329 1.00 0.00 N ATOM 773 CA TYR A 54 -1.720 6.010 -3.285 1.00 0.00 C ATOM 774 C TYR A 54 -1.825 7.513 -3.552 1.00 0.00 C ATOM 775 O TYR A 54 -1.986 7.934 -4.696 1.00 0.00 O ATOM 776 CB TYR A 54 -0.248 5.597 -3.334 1.00 0.00 C ATOM 777 CG TYR A 54 0.559 6.298 -4.429 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.109 7.541 -4.193 1.00 0.00 C ATOM 779 CD2 TYR A 54 0.737 5.686 -5.653 1.00 0.00 C ATOM 780 CE1 TYR A 54 1.868 8.200 -5.223 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.497 6.345 -6.684 1.00 0.00 C ATOM 782 CZ TYR A 54 2.025 7.570 -6.418 1.00 0.00 C ATOM 783 OH TYR A 54 2.742 8.192 -7.392 1.00 0.00 O ATOM 0 H TYR A 54 -2.372 5.687 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.178 5.813 -2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.210 5.808 -2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.188 4.519 -3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.970 8.020 -3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.306 4.713 -5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.303 9.173 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.644 5.877 -7.646 1.00 0.00 H new ATOM 0 HH TYR A 54 2.772 7.624 -8.190 1.00 0.00 H new ATOM 793 N GLU A 55 -1.729 8.281 -2.476 1.00 0.00 N ATOM 794 CA GLU A 55 -1.812 9.728 -2.580 1.00 0.00 C ATOM 795 C GLU A 55 -0.670 10.381 -1.797 1.00 0.00 C ATOM 796 O GLU A 55 -0.292 9.904 -0.729 1.00 0.00 O ATOM 797 CB GLU A 55 -3.171 10.236 -2.094 1.00 0.00 C ATOM 798 CG GLU A 55 -3.448 9.776 -0.662 1.00 0.00 C ATOM 799 CD GLU A 55 -3.606 10.974 0.278 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.557 11.502 0.705 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.772 11.333 0.547 1.00 0.00 O ATOM 0 H GLU A 55 -1.595 7.928 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.713 10.004 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.194 11.325 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.957 9.872 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.354 9.170 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.632 9.142 -0.315 1.00 0.00 H new ATOM 808 N ASP A 56 -0.154 11.464 -2.360 1.00 0.00 N ATOM 809 CA ASP A 56 0.936 12.188 -1.729 1.00 0.00 C ATOM 810 C ASP A 56 0.361 13.264 -0.806 1.00 0.00 C ATOM 811 O ASP A 56 -0.426 14.104 -1.240 1.00 0.00 O ATOM 812 CB ASP A 56 1.814 12.881 -2.773 1.00 0.00 C ATOM 813 CG ASP A 56 3.138 13.433 -2.240 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.144 13.858 -1.064 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.114 13.419 -3.021 1.00 0.00 O ATOM 0 H ASP A 56 -0.471 11.857 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 56 1.538 11.471 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.029 12.173 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.248 13.700 -3.216 1.00 0.00 H new ATOM 820 N ALA A 57 0.776 13.203 0.451 1.00 0.00 N ATOM 821 CA ALA A 57 0.311 14.162 1.440 1.00 0.00 C ATOM 822 C ALA A 57 1.374 15.245 1.631 1.00 0.00 C ATOM 823 O ALA A 57 1.115 16.269 2.261 1.00 0.00 O ATOM 824 CB ALA A 57 -0.019 13.432 2.743 1.00 0.00 C ATOM 0 H ALA A 57 1.429 12.505 0.807 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.602 14.652 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.368 14.151 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.799 12.693 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.874 12.931 3.116 1.00 0.00 H new ATOM 830 N MET A 58 2.548 14.982 1.077 1.00 0.00 N ATOM 831 CA MET A 58 3.652 15.922 1.178 1.00 0.00 C ATOM 832 C MET A 58 3.687 16.859 -0.031 1.00 0.00 C ATOM 833 O MET A 58 4.455 17.820 -0.054 1.00 0.00 O ATOM 834 CB MET A 58 4.971 15.153 1.268 1.00 0.00 C ATOM 835 CG MET A 58 6.166 16.089 1.070 1.00 0.00 C ATOM 836 SD MET A 58 7.686 15.217 1.406 1.00 0.00 S ATOM 837 CE MET A 58 7.378 14.691 3.083 1.00 0.00 C ATOM 0 H MET A 58 2.759 14.131 0.556 1.00 0.00 H new ATOM 0 HA MET A 58 3.511 16.524 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.045 14.663 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.991 14.368 0.512 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.174 16.471 0.049 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.077 16.950 1.732 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.304 14.742 3.656 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.633 15.343 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.009 13.665 3.081 1.00 0.00 H new ATOM 847 N HIS A 59 2.847 16.546 -1.006 1.00 0.00 N ATOM 848 CA HIS A 59 2.773 17.348 -2.216 1.00 0.00 C ATOM 849 C HIS A 59 1.310 17.661 -2.535 1.00 0.00 C ATOM 850 O HIS A 59 0.828 18.755 -2.244 1.00 0.00 O ATOM 851 CB HIS A 59 3.497 16.655 -3.372 1.00 0.00 C ATOM 852 CG HIS A 59 4.998 16.606 -3.216 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.632 15.748 -2.334 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.982 17.316 -3.837 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.939 15.942 -2.429 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.154 16.915 -3.361 1.00 0.00 N ATOM 0 H HIS A 59 2.212 15.748 -0.983 1.00 0.00 H new ATOM 0 HA HIS A 59 3.286 18.297 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.118 15.637 -3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.255 17.172 -4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.833 18.076 -4.589 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.701 15.421 -1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.065 17.275 -3.645 1.00 0.00 H new ATOM 864 N LYS A 60 0.644 16.682 -3.129 1.00 0.00 N ATOM 865 CA LYS A 60 -0.754 16.839 -3.491 1.00 0.00 C ATOM 866 C LYS A 60 -1.586 15.779 -2.767 1.00 0.00 C ATOM 867 O LYS A 60 -1.708 14.650 -3.239 1.00 0.00 O ATOM 868 CB LYS A 60 -0.920 16.817 -5.012 1.00 0.00 C ATOM 869 CG LYS A 60 -0.269 18.045 -5.652 1.00 0.00 C ATOM 870 CD LYS A 60 -1.183 18.659 -6.714 1.00 0.00 C ATOM 871 CE LYS A 60 -0.931 18.028 -8.085 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.612 19.071 -9.085 1.00 0.00 N ATOM 0 H LYS A 60 1.047 15.776 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.124 17.812 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.471 15.910 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.980 16.789 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.049 18.786 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.682 17.763 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.225 18.515 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.013 19.734 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.108 17.316 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.811 17.469 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.444 18.626 -10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.409 19.735 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.241 19.587 -8.789 1.00 0.00 H new ATOM 886 N PRO A 61 -2.153 16.191 -1.601 1.00 0.00 N ATOM 887 CA PRO A 61 -2.970 15.290 -0.807 1.00 0.00 C ATOM 888 C PRO A 61 -4.346 15.091 -1.445 1.00 0.00 C ATOM 889 O PRO A 61 -4.912 16.024 -2.014 1.00 0.00 O ATOM 890 CB PRO A 61 -3.042 15.933 0.569 1.00 0.00 C ATOM 891 CG PRO A 61 -2.656 17.389 0.369 1.00 0.00 C ATOM 892 CD PRO A 61 -2.031 17.521 -1.010 1.00 0.00 C ATOM 0 HA PRO A 61 -2.548 14.287 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.045 15.849 0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.363 15.441 1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.533 18.031 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.953 17.707 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.549 18.270 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.988 17.831 -0.944 1.00 0.00 H new ATOM 900 N GLY A 62 -4.846 13.869 -1.330 1.00 0.00 N ATOM 901 CA GLY A 62 -6.145 13.536 -1.889 1.00 0.00 C ATOM 902 C GLY A 62 -6.004 12.975 -3.306 1.00 0.00 C ATOM 903 O GLY A 62 -6.882 12.258 -3.784 1.00 0.00 O ATOM 0 H GLY A 62 -4.375 13.098 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.642 12.805 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.776 14.425 -1.907 1.00 0.00 H new ATOM 907 N LEU A 63 -4.894 13.324 -3.939 1.00 0.00 N ATOM 908 CA LEU A 63 -4.627 12.865 -5.291 1.00 0.00 C ATOM 909 C LEU A 63 -4.144 11.414 -5.247 1.00 0.00 C ATOM 910 O LEU A 63 -2.981 11.152 -4.945 1.00 0.00 O ATOM 911 CB LEU A 63 -3.657 13.814 -5.998 1.00 0.00 C ATOM 912 CG LEU A 63 -4.239 14.625 -7.158 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.796 16.088 -7.080 1.00 0.00 C ATOM 914 CD2 LEU A 63 -3.884 13.990 -8.504 1.00 0.00 C ATOM 0 H LEU A 63 -4.169 13.920 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.541 12.880 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.256 14.509 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.817 13.230 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.326 14.612 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.223 16.643 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.141 16.523 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.708 16.142 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.310 14.586 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.800 13.952 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.289 12.979 -8.547 1.00 0.00 H new ATOM 926 N TRP A 64 -5.062 10.509 -5.552 1.00 0.00 N ATOM 927 CA TRP A 64 -4.744 9.091 -5.551 1.00 0.00 C ATOM 928 C TRP A 64 -4.273 8.711 -6.956 1.00 0.00 C ATOM 929 O TRP A 64 -4.890 9.097 -7.947 1.00 0.00 O ATOM 930 CB TRP A 64 -5.939 8.262 -5.077 1.00 0.00 C ATOM 931 CG TRP A 64 -6.326 8.506 -3.617 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.135 9.455 -3.125 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.885 7.746 -2.472 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.247 9.362 -1.753 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.463 8.290 -1.343 1.00 0.00 C ATOM 936 CE3 TRP A 64 -5.027 6.635 -2.393 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.245 7.790 -0.054 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.819 6.147 -1.097 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.393 6.684 0.049 1.00 0.00 C ATOM 0 H TRP A 64 -6.026 10.730 -5.802 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.942 8.876 -4.845 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.797 8.484 -5.712 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.710 7.205 -5.210 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.636 10.199 -3.727 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.803 9.969 -1.150 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.565 6.193 -3.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.709 8.234 0.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.167 5.294 -0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.183 6.250 1.015 1.00 0.00 H new ATOM 950 N HIS A 65 -3.183 7.958 -6.996 1.00 0.00 N ATOM 951 CA HIS A 65 -2.622 7.521 -8.263 1.00 0.00 C ATOM 952 C HIS A 65 -2.640 5.993 -8.333 1.00 0.00 C ATOM 953 O HIS A 65 -2.843 5.324 -7.321 1.00 0.00 O ATOM 954 CB HIS A 65 -1.224 8.107 -8.469 1.00 0.00 C ATOM 955 CG HIS A 65 -1.138 9.594 -8.217 1.00 0.00 C ATOM 956 ND1 HIS A 65 -0.691 10.290 -7.133 1.00 0.00 N flip ATOM 957 CD2 HIS A 65 -1.544 10.536 -9.146 1.00 0.00 C flip ATOM 958 CE1 HIS A 65 -0.815 11.587 -7.386 1.00 0.00 C flip ATOM 959 NE2 HIS A 65 -1.344 11.742 -8.633 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.674 7.640 -6.171 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.234 7.895 -9.084 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.526 7.596 -7.807 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.902 7.903 -9.490 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.323 9.883 -6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.954 10.325 -10.123 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.542 12.388 -6.715 1.00 0.00 H new ATOM 967 N HIS A 66 -2.425 5.485 -9.538 1.00 0.00 N ATOM 968 CA HIS A 66 -2.414 4.048 -9.753 1.00 0.00 C ATOM 969 C HIS A 66 -1.014 3.498 -9.475 1.00 0.00 C ATOM 970 O HIS A 66 -0.065 3.816 -10.190 1.00 0.00 O ATOM 971 CB HIS A 66 -2.918 3.705 -11.156 1.00 0.00 C ATOM 972 CG HIS A 66 -3.347 2.266 -11.320 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.513 1.199 -11.035 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.528 1.731 -11.742 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.174 0.076 -11.278 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.422 0.408 -11.717 1.00 0.00 N ATOM 0 H HIS A 66 -2.257 6.043 -10.375 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.100 3.567 -9.056 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.760 4.354 -11.397 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.130 3.923 -11.877 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.402 2.289 -12.045 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.792 -0.926 -11.151 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.153 -0.252 -11.982 1.00 0.00 H new ATOM 984 N GLN A 67 -0.929 2.682 -8.435 1.00 0.00 N ATOM 985 CA GLN A 67 0.339 2.085 -8.053 1.00 0.00 C ATOM 986 C GLN A 67 0.588 0.807 -8.858 1.00 0.00 C ATOM 987 O GLN A 67 1.372 0.809 -9.806 1.00 0.00 O ATOM 988 CB GLN A 67 0.383 1.803 -6.550 1.00 0.00 C ATOM 989 CG GLN A 67 1.705 1.142 -6.154 1.00 0.00 C ATOM 990 CD GLN A 67 2.622 2.137 -5.439 1.00 0.00 C ATOM 991 OE1 GLN A 67 3.057 3.131 -5.996 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.891 1.814 -4.177 1.00 0.00 N ATOM 0 H GLN A 67 -1.718 2.420 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 67 1.135 2.795 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.258 2.735 -5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.449 1.155 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.509 0.290 -5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.204 0.756 -7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.494 0.967 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.495 2.414 -3.615 1.00 0.00 H new ATOM 1001 N THR A 68 -0.094 -0.253 -8.451 1.00 0.00 N ATOM 1002 CA THR A 68 0.043 -1.534 -9.122 1.00 0.00 C ATOM 1003 C THR A 68 -1.117 -2.459 -8.747 1.00 0.00 C ATOM 1004 O THR A 68 -1.773 -2.256 -7.727 1.00 0.00 O ATOM 1005 CB THR A 68 1.416 -2.108 -8.770 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.516 -3.284 -9.568 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.483 -2.627 -7.332 1.00 0.00 C ATOM 0 H THR A 68 -0.743 -0.251 -7.664 1.00 0.00 H new ATOM 0 HA THR A 68 -0.010 -1.421 -10.205 1.00 0.00 H new ATOM 0 HB THR A 68 2.177 -1.342 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.379 -3.719 -9.403 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.479 -3.023 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.273 -1.811 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.744 -3.417 -7.195 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.333 -3.456 -9.592 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.402 -4.414 -9.363 1.00 0.00 C ATOM 1017 C GLU A 69 -1.851 -5.841 -9.388 1.00 0.00 C ATOM 1018 O GLU A 69 -0.757 -6.079 -9.897 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.523 -4.241 -10.390 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.979 -4.335 -11.816 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.539 -5.764 -12.142 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.170 -6.692 -11.591 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.581 -5.896 -12.934 1.00 0.00 O ATOM 0 H GLU A 69 -0.786 -3.622 -10.437 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.826 -4.226 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.284 -5.006 -10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.008 -3.276 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.745 -4.016 -12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.135 -3.655 -11.933 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.634 -6.753 -8.832 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.238 -8.150 -8.784 1.00 0.00 C ATOM 1032 C VAL A 70 -3.443 -9.029 -9.126 1.00 0.00 C ATOM 1033 O VAL A 70 -4.511 -8.521 -9.463 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.630 -8.476 -7.418 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.105 -8.568 -7.505 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.058 -7.448 -6.369 1.00 0.00 C ATOM 0 H VAL A 70 -3.541 -6.552 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.465 -8.353 -9.526 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.007 -9.450 -7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.302 -8.801 -6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.173 -9.354 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.298 -7.615 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.613 -7.702 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.723 -6.456 -6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.144 -7.452 -6.278 1.00 0.00 H new ATOM 1046 N SER A 71 -3.231 -10.333 -9.027 1.00 0.00 N ATOM 1047 CA SER A 71 -4.286 -11.288 -9.322 1.00 0.00 C ATOM 1048 C SER A 71 -5.315 -11.296 -8.190 1.00 0.00 C ATOM 1049 O SER A 71 -5.083 -10.717 -7.130 1.00 0.00 O ATOM 1050 CB SER A 71 -3.716 -12.692 -9.531 1.00 0.00 C ATOM 1051 OG SER A 71 -3.996 -13.193 -10.835 1.00 0.00 O ATOM 0 H SER A 71 -2.344 -10.751 -8.747 1.00 0.00 H new ATOM 0 HA SER A 71 -4.775 -10.983 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.638 -12.673 -9.374 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.135 -13.368 -8.785 1.00 0.00 H new ATOM 0 HG SER A 71 -3.614 -14.091 -10.930 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.431 -11.960 -8.453 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.497 -12.051 -7.470 1.00 0.00 C ATOM 1059 C GLY A 72 -7.323 -13.288 -6.586 1.00 0.00 C ATOM 1060 O GLY A 72 -8.290 -13.786 -6.011 1.00 0.00 O ATOM 0 H GLY A 72 -6.620 -12.440 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.503 -11.154 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.461 -12.094 -7.977 1.00 0.00 H new ATOM 1064 N THR A 73 -6.084 -13.749 -6.506 1.00 0.00 N ATOM 1065 CA THR A 73 -5.771 -14.919 -5.702 1.00 0.00 C ATOM 1066 C THR A 73 -4.816 -14.546 -4.567 1.00 0.00 C ATOM 1067 O THR A 73 -4.904 -15.096 -3.470 1.00 0.00 O ATOM 1068 CB THR A 73 -5.215 -15.998 -6.634 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.320 -16.869 -6.855 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.173 -16.884 -5.948 1.00 0.00 C ATOM 0 H THR A 73 -5.285 -13.334 -6.984 1.00 0.00 H new ATOM 0 HA THR A 73 -6.663 -15.316 -5.217 1.00 0.00 H new ATOM 0 HB THR A 73 -4.770 -15.526 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.048 -17.598 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.811 -17.632 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.338 -16.270 -5.611 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.626 -17.382 -5.091 1.00 0.00 H new ATOM 1078 N GLN A 74 -3.925 -13.613 -4.868 1.00 0.00 N ATOM 1079 CA GLN A 74 -2.954 -13.159 -3.887 1.00 0.00 C ATOM 1080 C GLN A 74 -3.542 -12.026 -3.044 1.00 0.00 C ATOM 1081 O GLN A 74 -4.478 -11.351 -3.470 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.654 -12.722 -4.563 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.769 -11.295 -5.103 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.391 -10.725 -5.446 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.147 -9.537 -4.900 1.00 0.00 O flip ATOM 1086 NE2 GLN A 74 0.397 -11.325 -6.158 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.855 -13.159 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.718 -13.993 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.832 -12.779 -3.850 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.417 -13.405 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.400 -11.289 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.255 -10.660 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.145 -12.235 -6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.308 -10.917 -6.367 1.00 0.00 H new ATOM 1095 N THR A 75 -2.969 -11.852 -1.862 1.00 0.00 N ATOM 1096 CA THR A 75 -3.424 -10.812 -0.955 1.00 0.00 C ATOM 1097 C THR A 75 -2.233 -10.030 -0.398 1.00 0.00 C ATOM 1098 O THR A 75 -2.345 -9.374 0.636 1.00 0.00 O ATOM 1099 CB THR A 75 -4.279 -11.471 0.129 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.541 -12.634 0.494 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.597 -12.022 -0.418 1.00 0.00 C ATOM 0 H THR A 75 -2.193 -12.414 -1.511 1.00 0.00 H new ATOM 0 HA THR A 75 -4.040 -10.077 -1.474 1.00 0.00 H new ATOM 0 HB THR A 75 -4.488 -10.747 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.023 -13.121 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.165 -12.479 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.178 -11.210 -0.855 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.389 -12.771 -1.182 1.00 0.00 H new ATOM 1109 N THR A 76 -1.119 -10.127 -1.109 1.00 0.00 N ATOM 1110 CA THR A 76 0.093 -9.437 -0.699 1.00 0.00 C ATOM 1111 C THR A 76 0.889 -8.984 -1.924 1.00 0.00 C ATOM 1112 O THR A 76 1.244 -9.798 -2.774 1.00 0.00 O ATOM 1113 CB THR A 76 0.878 -10.370 0.225 1.00 0.00 C ATOM 1114 OG1 THR A 76 1.124 -11.524 -0.574 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.030 -10.894 1.386 1.00 0.00 C ATOM 0 H THR A 76 -1.030 -10.673 -1.966 1.00 0.00 H new ATOM 0 HA THR A 76 -0.138 -8.527 -0.146 1.00 0.00 H new ATOM 0 HB THR A 76 1.747 -9.843 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.116 -11.274 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.635 -11.551 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.328 -10.055 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.821 -11.450 0.993 1.00 0.00 H new ATOM 1123 N ALA A 77 1.147 -7.685 -1.975 1.00 0.00 N ATOM 1124 CA ALA A 77 1.895 -7.114 -3.082 1.00 0.00 C ATOM 1125 C ALA A 77 2.955 -6.156 -2.535 1.00 0.00 C ATOM 1126 O ALA A 77 2.705 -5.431 -1.573 1.00 0.00 O ATOM 1127 CB ALA A 77 0.930 -6.424 -4.048 1.00 0.00 C ATOM 0 H ALA A 77 0.851 -7.012 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 77 2.412 -7.895 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.491 -5.996 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.215 -7.153 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.395 -5.632 -3.524 1.00 0.00 H new ATOM 1133 N GLN A 78 4.118 -6.186 -3.170 1.00 0.00 N ATOM 1134 CA GLN A 78 5.217 -5.330 -2.759 1.00 0.00 C ATOM 1135 C GLN A 78 4.979 -3.895 -3.234 1.00 0.00 C ATOM 1136 O GLN A 78 4.555 -3.674 -4.367 1.00 0.00 O ATOM 1137 CB GLN A 78 6.553 -5.864 -3.280 1.00 0.00 C ATOM 1138 CG GLN A 78 7.242 -6.735 -2.227 1.00 0.00 C ATOM 1139 CD GLN A 78 8.122 -7.799 -2.887 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.260 -7.559 -3.256 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.534 -8.985 -3.014 1.00 0.00 N ATOM 0 H GLN A 78 4.322 -6.790 -3.966 1.00 0.00 H new ATOM 0 HA GLN A 78 5.263 -5.329 -1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.388 -6.446 -4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.202 -5.031 -3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.850 -6.109 -1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.491 -7.216 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.578 -9.118 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.039 -9.761 -3.442 1.00 0.00 H new ATOM 1150 N LEU A 79 5.262 -2.956 -2.343 1.00 0.00 N ATOM 1151 CA LEU A 79 5.084 -1.548 -2.656 1.00 0.00 C ATOM 1152 C LEU A 79 6.454 -0.875 -2.754 1.00 0.00 C ATOM 1153 O LEU A 79 7.245 -0.928 -1.813 1.00 0.00 O ATOM 1154 CB LEU A 79 4.145 -0.889 -1.644 1.00 0.00 C ATOM 1155 CG LEU A 79 2.729 -1.464 -1.569 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.746 -0.430 -1.017 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.286 -2.009 -2.928 1.00 0.00 C ATOM 0 H LEU A 79 5.613 -3.143 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 79 4.601 -1.431 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.599 -0.963 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.073 0.172 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 79 2.737 -2.303 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.747 -0.864 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.056 -0.132 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.734 0.444 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.276 -2.412 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.298 -1.205 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.968 -2.799 -3.243 1.00 0.00 H new ATOM 1169 N ASN A 80 6.693 -0.256 -3.901 1.00 0.00 N ATOM 1170 CA ASN A 80 7.954 0.428 -4.133 1.00 0.00 C ATOM 1171 C ASN A 80 7.860 1.858 -3.598 1.00 0.00 C ATOM 1172 O ASN A 80 7.155 2.692 -4.165 1.00 0.00 O ATOM 1173 CB ASN A 80 8.273 0.502 -5.628 1.00 0.00 C ATOM 1174 CG ASN A 80 8.884 -0.810 -6.124 1.00 0.00 C ATOM 1175 OD1 ASN A 80 9.396 -1.613 -5.362 1.00 0.00 O ATOM 1176 ND2 ASN A 80 8.802 -0.981 -7.441 1.00 0.00 N ATOM 0 H ASN A 80 6.035 -0.214 -4.679 1.00 0.00 H new ATOM 0 HA ASN A 80 8.739 -0.130 -3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.363 0.718 -6.187 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.965 1.323 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.181 -1.825 -7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.360 -0.268 -8.021 1.00 0.00 H new ATOM 1183 N LEU A 81 8.582 2.099 -2.514 1.00 0.00 N ATOM 1184 CA LEU A 81 8.589 3.414 -1.896 1.00 0.00 C ATOM 1185 C LEU A 81 9.929 4.098 -2.178 1.00 0.00 C ATOM 1186 O LEU A 81 10.922 3.431 -2.465 1.00 0.00 O ATOM 1187 CB LEU A 81 8.254 3.308 -0.407 1.00 0.00 C ATOM 1188 CG LEU A 81 7.149 2.317 -0.037 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.809 2.405 1.452 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.915 2.517 -0.919 1.00 0.00 C ATOM 0 H LEU A 81 9.167 1.406 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 81 7.812 4.043 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.160 3.028 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.964 4.296 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 81 7.519 1.309 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.021 1.690 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.696 2.175 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.467 3.413 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.145 1.800 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.534 3.530 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.186 2.364 -1.964 1.00 0.00 H new ATOM 1202 N SER A 82 9.913 5.419 -2.085 1.00 0.00 N ATOM 1203 CA SER A 82 11.114 6.201 -2.326 1.00 0.00 C ATOM 1204 C SER A 82 11.320 7.207 -1.192 1.00 0.00 C ATOM 1205 O SER A 82 10.379 7.542 -0.476 1.00 0.00 O ATOM 1206 CB SER A 82 11.039 6.925 -3.671 1.00 0.00 C ATOM 1207 OG SER A 82 11.256 6.040 -4.767 1.00 0.00 O ATOM 0 H SER A 82 9.087 5.968 -1.846 1.00 0.00 H new ATOM 0 HA SER A 82 11.965 5.520 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.062 7.397 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.782 7.722 -3.696 1.00 0.00 H new ATOM 0 HG SER A 82 11.198 6.540 -5.608 1.00 0.00 H new ATOM 1213 N PRO A 83 12.591 7.673 -1.061 1.00 0.00 N ATOM 1214 CA PRO A 83 12.933 8.634 -0.027 1.00 0.00 C ATOM 1215 C PRO A 83 12.421 10.031 -0.385 1.00 0.00 C ATOM 1216 O PRO A 83 12.422 10.415 -1.553 1.00 0.00 O ATOM 1217 CB PRO A 83 14.448 8.568 0.087 1.00 0.00 C ATOM 1218 CG PRO A 83 14.934 7.920 -1.199 1.00 0.00 C ATOM 1219 CD PRO A 83 13.732 7.299 -1.892 1.00 0.00 C ATOM 0 HA PRO A 83 12.464 8.406 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.874 9.564 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.749 7.984 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.406 8.660 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.685 7.160 -0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.622 7.677 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.832 6.216 -1.963 1.00 0.00 H new ATOM 1227 N TYR A 84 11.996 10.752 0.642 1.00 0.00 N ATOM 1228 CA TYR A 84 11.482 12.097 0.451 1.00 0.00 C ATOM 1229 C TYR A 84 10.127 12.070 -0.260 1.00 0.00 C ATOM 1230 O TYR A 84 9.877 12.873 -1.158 1.00 0.00 O ATOM 1231 CB TYR A 84 12.498 12.813 -0.441 1.00 0.00 C ATOM 1232 CG TYR A 84 13.951 12.418 -0.171 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.515 12.664 1.064 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.698 11.815 -1.163 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.883 12.291 1.318 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.065 11.443 -0.909 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.590 11.699 0.319 1.00 0.00 C ATOM 1238 OH TYR A 84 17.882 11.348 0.559 1.00 0.00 O ATOM 0 H TYR A 84 11.997 10.430 1.610 1.00 0.00 H new ATOM 0 HA TYR A 84 11.343 12.595 1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.263 12.602 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.393 13.889 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.931 13.136 1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.257 11.622 -2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.337 12.477 2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.660 10.971 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 84 18.263 10.934 -0.244 1.00 0.00 H new ATOM 1248 N VAL A 85 9.288 11.139 0.170 1.00 0.00 N ATOM 1249 CA VAL A 85 7.965 10.998 -0.414 1.00 0.00 C ATOM 1250 C VAL A 85 7.006 10.436 0.637 1.00 0.00 C ATOM 1251 O VAL A 85 7.280 9.400 1.243 1.00 0.00 O ATOM 1252 CB VAL A 85 8.039 10.136 -1.676 1.00 0.00 C ATOM 1253 CG1 VAL A 85 6.793 10.326 -2.544 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.312 10.437 -2.471 1.00 0.00 C ATOM 0 H VAL A 85 9.499 10.475 0.915 1.00 0.00 H new ATOM 0 HA VAL A 85 7.578 11.969 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 85 8.076 9.091 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.871 9.702 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.907 10.040 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.712 11.372 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.340 9.811 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.318 11.487 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.185 10.228 -1.853 1.00 0.00 H new ATOM 1264 N ASN A 86 5.901 11.143 0.822 1.00 0.00 N ATOM 1265 CA ASN A 86 4.900 10.727 1.790 1.00 0.00 C ATOM 1266 C ASN A 86 3.585 10.436 1.064 1.00 0.00 C ATOM 1267 O ASN A 86 3.212 11.152 0.137 1.00 0.00 O ATOM 1268 CB ASN A 86 4.637 11.829 2.819 1.00 0.00 C ATOM 1269 CG ASN A 86 3.488 11.445 3.753 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.539 10.188 4.184 1.00 0.00 O flip ATOM 1271 ND2 ASN A 86 2.613 12.238 4.061 1.00 0.00 N flip ATOM 0 H ASN A 86 5.677 12.001 0.318 1.00 0.00 H new ATOM 0 HA ASN A 86 5.273 9.839 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.540 12.009 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.398 12.761 2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.634 13.189 3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.860 11.950 4.686 1.00 0.00 H new ATOM 1278 N TYR A 87 2.919 9.382 1.514 1.00 0.00 N ATOM 1279 CA TYR A 87 1.654 8.987 0.919 1.00 0.00 C ATOM 1280 C TYR A 87 1.081 7.752 1.618 1.00 0.00 C ATOM 1281 O TYR A 87 1.739 7.155 2.469 1.00 0.00 O ATOM 1282 CB TYR A 87 1.965 8.635 -0.538 1.00 0.00 C ATOM 1283 CG TYR A 87 3.265 7.850 -0.724 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.466 6.674 -0.031 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.236 8.318 -1.586 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.690 5.935 -0.207 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.460 7.579 -1.762 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.626 6.424 -1.063 1.00 0.00 C ATOM 1289 OH TYR A 87 6.782 5.727 -1.229 1.00 0.00 O ATOM 0 H TYR A 87 3.232 8.790 2.283 1.00 0.00 H new ATOM 0 HA TYR A 87 0.921 9.789 1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.139 8.052 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.022 9.555 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.706 6.308 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.078 9.238 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.860 5.013 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.228 7.934 -2.433 1.00 0.00 H new ATOM 0 HH TYR A 87 7.475 6.098 -0.644 1.00 0.00 H new ATOM 1299 N SER A 88 -0.139 7.407 1.233 1.00 0.00 N ATOM 1300 CA SER A 88 -0.808 6.254 1.813 1.00 0.00 C ATOM 1301 C SER A 88 -0.873 5.118 0.790 1.00 0.00 C ATOM 1302 O SER A 88 -0.372 5.252 -0.325 1.00 0.00 O ATOM 1303 CB SER A 88 -2.214 6.618 2.293 1.00 0.00 C ATOM 1304 OG SER A 88 -2.195 7.257 3.566 1.00 0.00 O ATOM 0 H SER A 88 -0.681 7.905 0.527 1.00 0.00 H new ATOM 0 HA SER A 88 -0.233 5.923 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.687 7.276 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.823 5.716 2.349 1.00 0.00 H new ATOM 0 HG SER A 88 -3.111 7.475 3.836 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.496 4.025 1.207 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.633 2.866 0.341 1.00 0.00 C ATOM 1312 C PHE A 89 -3.084 2.382 0.299 1.00 0.00 C ATOM 1313 O PHE A 89 -3.660 2.047 1.333 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.755 1.761 0.930 1.00 0.00 C ATOM 1315 CG PHE A 89 0.738 2.092 0.943 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.308 2.707 -0.128 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.497 1.772 2.025 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.694 3.015 -0.117 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.883 2.080 2.037 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.452 2.695 0.966 1.00 0.00 C ATOM 0 H PHE A 89 -1.911 3.918 2.132 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.335 3.123 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.080 1.558 1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.909 0.846 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.706 2.961 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.045 1.283 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.146 3.503 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.485 1.826 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.506 2.929 0.975 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.632 2.360 -0.906 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.005 1.922 -1.096 1.00 0.00 C ATOM 1332 C ARG A 90 -5.036 0.566 -1.805 1.00 0.00 C ATOM 1333 O ARG A 90 -4.075 0.189 -2.474 1.00 0.00 O ATOM 1334 CB ARG A 90 -5.799 2.938 -1.919 1.00 0.00 C ATOM 1335 CG ARG A 90 -7.241 3.042 -1.418 1.00 0.00 C ATOM 1336 CD ARG A 90 -7.630 4.500 -1.164 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.731 5.228 -2.449 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.471 6.330 -2.631 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -9.179 6.838 -1.613 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.503 6.925 -3.832 1.00 0.00 N ATOM 0 H ARG A 90 -3.151 2.638 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.463 1.832 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.318 3.915 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.795 2.644 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.917 2.604 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.353 2.467 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.582 4.544 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.888 4.977 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.205 4.868 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.155 6.386 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.742 7.677 -1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.964 6.539 -4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.066 7.764 -3.971 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.151 -0.129 -1.636 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.320 -1.434 -2.251 1.00 0.00 C ATOM 1356 C VAL A 91 -7.731 -1.540 -2.834 1.00 0.00 C ATOM 1357 O VAL A 91 -8.714 -1.297 -2.136 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.009 -2.536 -1.236 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.168 -3.922 -1.865 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.608 -2.359 -0.647 1.00 0.00 C ATOM 0 H VAL A 91 -6.947 0.187 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.617 -1.561 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.728 -2.453 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.941 -4.687 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.193 -4.048 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.483 -4.020 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.412 -3.155 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.869 -2.402 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.544 -1.394 -0.145 1.00 0.00 H new ATOM 1370 N MET A 92 -7.786 -1.902 -4.107 1.00 0.00 N ATOM 1371 CA MET A 92 -9.060 -2.043 -4.791 1.00 0.00 C ATOM 1372 C MET A 92 -9.253 -3.472 -5.302 1.00 0.00 C ATOM 1373 O MET A 92 -8.285 -4.212 -5.467 1.00 0.00 O ATOM 1374 CB MET A 92 -9.118 -1.067 -5.968 1.00 0.00 C ATOM 1375 CG MET A 92 -9.476 0.343 -5.495 1.00 0.00 C ATOM 1376 SD MET A 92 -8.236 0.938 -4.357 1.00 0.00 S ATOM 1377 CE MET A 92 -6.814 0.965 -5.435 1.00 0.00 C ATOM 0 H MET A 92 -6.968 -2.102 -4.683 1.00 0.00 H new ATOM 0 HA MET A 92 -9.858 -1.820 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.155 -1.050 -6.478 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.856 -1.410 -6.693 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.549 1.015 -6.350 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.453 0.336 -5.011 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.166 1.798 -5.162 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.264 0.029 -5.335 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.142 1.085 -6.467 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.510 -3.817 -5.538 1.00 0.00 N ATOM 1388 CA ALA A 93 -10.843 -5.144 -6.027 1.00 0.00 C ATOM 1389 C ALA A 93 -11.711 -5.019 -7.280 1.00 0.00 C ATOM 1390 O ALA A 93 -12.659 -4.235 -7.307 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.533 -5.939 -4.916 1.00 0.00 C ATOM 0 H ALA A 93 -11.311 -3.200 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.940 -5.688 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -11.783 -6.935 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.863 -6.025 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.445 -5.424 -4.613 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.357 -5.803 -8.288 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.092 -5.789 -9.541 1.00 0.00 C ATOM 1399 C VAL A 94 -12.444 -7.224 -9.936 1.00 0.00 C ATOM 1400 O VAL A 94 -11.596 -8.114 -9.878 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.284 -5.055 -10.613 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.193 -4.559 -11.740 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.487 -3.900 -10.004 1.00 0.00 C ATOM 0 H VAL A 94 -10.571 -6.452 -8.262 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.029 -5.243 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.574 -5.763 -11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.594 -4.041 -12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.696 -5.408 -12.202 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.937 -3.874 -11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.922 -3.395 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.172 -3.192 -9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.799 -4.289 -9.253 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.696 -7.406 -10.329 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.171 -8.718 -10.734 1.00 0.00 C ATOM 1415 C ASN A 95 -14.937 -8.594 -12.053 1.00 0.00 C ATOM 1416 O ASN A 95 -14.882 -7.557 -12.712 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.121 -9.306 -9.689 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.381 -8.450 -9.550 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.720 -7.653 -10.410 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.055 -8.658 -8.422 1.00 0.00 N ATOM 0 H ASN A 95 -14.397 -6.666 -10.376 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.305 -9.371 -10.843 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.397 -10.322 -9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.613 -9.371 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -17.911 -8.135 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.716 -9.340 -7.744 1.00 0.00 H new ATOM 1427 N SER A 96 -15.633 -9.667 -12.399 1.00 0.00 N ATOM 1428 CA SER A 96 -16.409 -9.691 -13.627 1.00 0.00 C ATOM 1429 C SER A 96 -17.220 -8.401 -13.760 1.00 0.00 C ATOM 1430 O SER A 96 -17.274 -7.804 -14.834 1.00 0.00 O ATOM 1431 CB SER A 96 -17.336 -10.907 -13.669 1.00 0.00 C ATOM 1432 OG SER A 96 -16.653 -12.085 -14.090 1.00 0.00 O ATOM 0 H SER A 96 -15.676 -10.526 -11.850 1.00 0.00 H new ATOM 0 HA SER A 96 -15.718 -9.766 -14.466 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.765 -11.070 -12.680 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.166 -10.707 -14.347 1.00 0.00 H new ATOM 0 HG SER A 96 -17.279 -12.839 -14.102 1.00 0.00 H new ATOM 1438 N ILE A 97 -17.831 -8.007 -12.652 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.637 -6.798 -12.630 1.00 0.00 C ATOM 1440 C ILE A 97 -17.769 -5.605 -13.034 1.00 0.00 C ATOM 1441 O ILE A 97 -17.739 -5.221 -14.202 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.317 -6.632 -11.270 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.129 -7.877 -10.907 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.169 -5.361 -11.235 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.536 -7.808 -11.506 1.00 0.00 C ATOM 0 H ILE A 97 -17.784 -8.504 -11.763 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.446 -6.865 -13.358 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.542 -6.521 -10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.618 -8.768 -11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.195 -7.969 -9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.642 -5.267 -10.257 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.535 -4.493 -11.417 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -20.938 -5.417 -12.006 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.092 -8.705 -11.233 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.053 -6.929 -11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.466 -7.741 -12.592 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.084 -5.051 -12.044 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.217 -3.909 -12.282 1.00 0.00 C ATOM 1459 C GLY A 98 -15.252 -3.700 -11.113 1.00 0.00 C ATOM 1460 O GLY A 98 -14.949 -4.640 -10.379 1.00 0.00 O ATOM 0 H GLY A 98 -17.112 -5.371 -11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.652 -4.062 -13.202 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.821 -3.013 -12.424 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.797 -2.464 -10.976 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.872 -2.120 -9.909 1.00 0.00 C ATOM 1466 C LYS A 99 -14.651 -1.506 -8.744 1.00 0.00 C ATOM 1467 O LYS A 99 -15.485 -0.625 -8.946 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.751 -1.224 -10.439 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.774 -0.850 -9.323 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.375 -0.588 -9.884 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.163 0.904 -10.152 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.068 1.651 -8.879 1.00 0.00 N ATOM 0 H LYS A 99 -15.052 -1.687 -11.586 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.380 -3.015 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.217 -1.738 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.178 -0.319 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.133 0.038 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.730 -1.654 -8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.624 -0.945 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.238 -1.150 -10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.253 1.049 -10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.988 1.293 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.548 2.568 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.522 1.103 -8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.067 1.807 -8.642 1.00 0.00 H new ATOM 1486 N SER A 100 -14.351 -1.996 -7.550 1.00 0.00 N ATOM 1487 CA SER A 100 -15.012 -1.506 -6.352 1.00 0.00 C ATOM 1488 C SER A 100 -14.305 -0.249 -5.841 1.00 0.00 C ATOM 1489 O SER A 100 -13.173 0.032 -6.230 1.00 0.00 O ATOM 1490 CB SER A 100 -15.042 -2.579 -5.262 1.00 0.00 C ATOM 1491 OG SER A 100 -13.742 -2.852 -4.745 1.00 0.00 O ATOM 0 H SER A 100 -13.659 -2.727 -7.386 1.00 0.00 H new ATOM 0 HA SER A 100 -16.042 -1.257 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.694 -2.254 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.471 -3.496 -5.667 1.00 0.00 H new ATOM 0 HG SER A 100 -13.761 -3.690 -4.238 1.00 0.00 H new ATOM 1497 N LEU A 101 -15.003 0.473 -4.977 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.457 1.693 -4.408 1.00 0.00 C ATOM 1499 C LEU A 101 -13.078 1.400 -3.813 1.00 0.00 C ATOM 1500 O LEU A 101 -12.736 0.244 -3.570 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.440 2.306 -3.409 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.562 3.157 -4.009 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.674 3.397 -2.986 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -16.012 4.468 -4.576 1.00 0.00 C ATOM 0 H LEU A 101 -15.942 0.236 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.317 2.446 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.892 1.499 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.878 2.923 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.002 2.606 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.459 4.004 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.091 2.441 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -17.265 3.918 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.829 5.054 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.531 5.035 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.283 4.249 -5.357 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.304 2.496 -3.589 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.970 2.368 -3.027 1.00 0.00 C ATOM 1518 C PRO A 102 -11.034 2.065 -1.529 1.00 0.00 C ATOM 1519 O PRO A 102 -11.865 2.622 -0.814 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.284 3.689 -3.337 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.399 4.675 -3.647 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.677 3.881 -3.865 1.00 0.00 C ATOM 0 HA PRO A 102 -10.412 1.535 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.688 4.028 -2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.606 3.587 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.524 5.381 -2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.156 5.259 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.471 4.218 -3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.046 3.996 -4.884 1.00 0.00 H new ATOM 1530 N SER A 103 -10.144 1.183 -1.098 1.00 0.00 N ATOM 1531 CA SER A 103 -10.089 0.798 0.302 1.00 0.00 C ATOM 1532 C SER A 103 -9.964 2.044 1.182 1.00 0.00 C ATOM 1533 O SER A 103 -9.520 3.093 0.719 1.00 0.00 O ATOM 1534 CB SER A 103 -8.922 -0.156 0.566 1.00 0.00 C ATOM 1535 OG SER A 103 -7.667 0.430 0.232 1.00 0.00 O ATOM 0 H SER A 103 -9.455 0.724 -1.694 1.00 0.00 H new ATOM 0 HA SER A 103 -11.013 0.276 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.919 -0.443 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.062 -1.069 -0.013 1.00 0.00 H new ATOM 0 HG SER A 103 -7.365 1.000 0.970 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.365 1.887 2.435 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.304 2.986 3.384 1.00 0.00 C ATOM 1543 C GLU A 104 -8.992 3.755 3.221 1.00 0.00 C ATOM 1544 O GLU A 104 -8.923 4.717 2.458 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.470 2.481 4.819 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.889 2.735 5.329 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.025 4.152 5.891 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.345 5.047 5.344 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.805 4.308 6.855 1.00 0.00 O ATOM 0 H GLU A 104 -10.733 1.015 2.815 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.129 3.667 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.250 1.414 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.751 2.980 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.602 2.592 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.137 2.008 6.102 1.00 0.00 H new ATOM 1556 N ALA A 105 -7.983 3.303 3.951 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.677 3.937 3.898 1.00 0.00 C ATOM 1558 C ALA A 105 -5.863 3.523 5.125 1.00 0.00 C ATOM 1559 O ALA A 105 -6.247 3.816 6.257 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.849 5.454 3.797 1.00 0.00 C ATOM 0 H ALA A 105 -8.044 2.505 4.583 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.129 3.612 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.869 5.929 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.407 5.697 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.393 5.817 4.669 1.00 0.00 H new ATOM 1566 N SER A 106 -4.754 2.848 4.860 1.00 0.00 N ATOM 1567 CA SER A 106 -3.883 2.391 5.929 1.00 0.00 C ATOM 1568 C SER A 106 -2.965 3.529 6.380 1.00 0.00 C ATOM 1569 O SER A 106 -2.893 4.569 5.726 1.00 0.00 O ATOM 1570 CB SER A 106 -3.053 1.184 5.486 1.00 0.00 C ATOM 1571 OG SER A 106 -3.223 0.070 6.357 1.00 0.00 O ATOM 0 H SER A 106 -4.439 2.607 3.920 1.00 0.00 H new ATOM 0 HA SER A 106 -4.506 2.081 6.768 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.339 0.899 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.999 1.461 5.453 1.00 0.00 H new ATOM 0 HG SER A 106 -4.153 0.033 6.662 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.287 3.294 7.493 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.377 4.287 8.038 1.00 0.00 C ATOM 1579 C GLU A 107 -0.500 4.871 6.928 1.00 0.00 C ATOM 1580 O GLU A 107 -0.246 4.211 5.922 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.520 3.690 9.156 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.152 2.237 8.849 1.00 0.00 C ATOM 1583 CD GLU A 107 1.293 1.940 9.255 1.00 0.00 C ATOM 1584 OE1 GLU A 107 2.171 2.729 8.845 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.487 0.930 9.966 1.00 0.00 O ATOM 0 H GLU A 107 -2.349 2.431 8.032 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.969 5.095 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.388 4.281 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.062 3.740 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.828 1.567 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.282 2.042 7.784 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.063 6.102 7.148 1.00 0.00 N ATOM 1593 CA GLN A 108 0.779 6.782 6.179 1.00 0.00 C ATOM 1594 C GLN A 108 2.227 6.305 6.307 1.00 0.00 C ATOM 1595 O GLN A 108 2.948 6.733 7.207 1.00 0.00 O ATOM 1596 CB GLN A 108 0.685 8.300 6.341 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.277 8.903 5.314 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.025 10.402 5.141 1.00 0.00 C ATOM 1599 OE1 GLN A 108 1.061 10.906 5.373 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -1.087 11.084 4.722 1.00 0.00 N ATOM 0 H GLN A 108 -0.276 6.646 7.984 1.00 0.00 H new ATOM 0 HA GLN A 108 0.423 6.534 5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.345 8.541 7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.674 8.744 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.156 8.397 4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.306 8.738 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.967 10.600 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.021 12.091 4.576 1.00 0.00 H new ATOM 1609 N TYR A 109 2.610 5.425 5.394 1.00 0.00 N ATOM 1610 CA TYR A 109 3.959 4.886 5.393 1.00 0.00 C ATOM 1611 C TYR A 109 4.951 5.889 4.801 1.00 0.00 C ATOM 1612 O TYR A 109 4.990 6.087 3.588 1.00 0.00 O ATOM 1613 CB TYR A 109 3.916 3.643 4.502 1.00 0.00 C ATOM 1614 CG TYR A 109 5.143 2.739 4.636 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.398 3.229 4.335 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.995 1.433 5.058 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.552 2.378 4.461 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.150 0.582 5.183 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.372 1.096 4.879 1.00 0.00 C ATOM 1620 OH TYR A 109 8.462 0.292 4.997 1.00 0.00 O ATOM 0 H TYR A 109 2.009 5.072 4.649 1.00 0.00 H new ATOM 0 HA TYR A 109 4.282 4.661 6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.024 3.066 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.820 3.957 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.514 4.251 4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.013 1.050 5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.539 2.749 4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.048 -0.442 5.511 1.00 0.00 H new ATOM 0 HH TYR A 109 8.182 -0.595 5.306 1.00 0.00 H new ATOM 1630 N LEU A 110 5.728 6.497 5.685 1.00 0.00 N ATOM 1631 CA LEU A 110 6.717 7.475 5.265 1.00 0.00 C ATOM 1632 C LEU A 110 8.095 6.811 5.212 1.00 0.00 C ATOM 1633 O LEU A 110 8.513 6.163 6.171 1.00 0.00 O ATOM 1634 CB LEU A 110 6.665 8.711 6.166 1.00 0.00 C ATOM 1635 CG LEU A 110 6.882 10.057 5.471 1.00 0.00 C ATOM 1636 CD1 LEU A 110 6.844 11.206 6.479 1.00 0.00 C ATOM 1637 CD2 LEU A 110 8.177 10.051 4.657 1.00 0.00 C ATOM 0 H LEU A 110 5.693 6.331 6.691 1.00 0.00 H new ATOM 0 HA LEU A 110 6.496 7.832 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.695 8.733 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.420 8.601 6.945 1.00 0.00 H new ATOM 0 HG LEU A 110 6.062 10.216 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.001 12.151 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.874 11.222 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.630 11.065 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.307 11.019 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.022 9.859 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.126 9.270 3.898 1.00 0.00 H new