USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 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 5 ASN : amide:sc= -2.88! C(o=-1.9!,f=-1.9!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.944 K(o=-1.9,f=-7.3!) USER MOD Set 2.1: A 69 THR OG1 : rot -150:sc= 0 USER MOD Set 2.2: A 117 LYS NZ :NH3+ 164:sc= 1.12 (180deg=1) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -1.62 F(o=-6!,f=-1.9) USER MOD Set 3.2: A 157 ASN : amide:sc= -0.323 K(o=-1.9,f=-9.7!) USER MOD Set 4.1: A 23 SER OG : rot -109:sc= 0.0144 USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0.0542 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.11 (180deg=-0.61) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.22 (180deg=1) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.329 K(o=-0.33,f=-1) USER MOD Single : A 4 SER OG : rot 172:sc= 1.18 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 0.626 (180deg=0.164) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.185 K(o=-0.18,f=-0.83) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.19 K(o=0.19,f=-2.2) USER MOD Single : A 28 SER OG : rot 165:sc= -1.99! USER MOD Single : A 33 ASN :FLIP amide:sc= -0.924 F(o=-2!,f=-0.92) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -155:sc= 1.02 USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.225! (180deg=-2.94!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.411 F(o=-3.8!,f=-0.41) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.43! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 80 TYR OH : rot -49:sc= 0.00115 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 82 SER OG : rot -121:sc= 1.01 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 88 ASN : amide:sc= 0.313 X(o=0.31,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.395 X(o=0.39,f=-0.0044) USER MOD Single : A 105 SER OG : rot 82:sc= 1 USER MOD Single : A 111 CYS SG : rot 166:sc= -10.9! USER MOD Single : A 114 SER OG : rot 73:sc= 0.332 USER MOD Single : A 119 MET CE :methyl -152:sc= -3.04! (180deg=-7.49!) USER MOD Single : A 120 GLN : amide:sc= -0.15! C(o=-0.15!,f=-4.2!) USER MOD Single : A 124 SER OG : rot -100:sc= -0.888 USER MOD Single : A 130 MET CE :methyl 177:sc= -4.06! (180deg=-4.35!) USER MOD Single : A 132 THR OG1 : rot 83:sc= 0.0199 USER MOD Single : A 133 TYR OH : rot 2:sc= 0.403 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.53) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.477 F(o=-5.3!,f=-0.48) USER MOD Single : A 150 THR OG1 : rot -170:sc= 0 USER MOD Single : A 155 TYR OH : rot -165:sc= -3.52! USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 160:sc= 0.177 USER MOD Single : A 165 LYS NZ :NH3+ -170:sc=-0.00181 (180deg=-0.0809) USER MOD Single : A 167 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 173 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 174 HIS :FLIP no HD1:sc= -0.381 F(o=-1.1,f=-0.38) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 177 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.013) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 181 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.47) USER MOD Single : A 182 HIS : no HD1:sc=-0.00371 X(o=-0.0037,f=0) USER MOD Single : A 183 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1016 ASN :FLIP amide:sc=-0.00355 F(o=-0.84,f=-0.0035) USER MOD Single : B1100 33B O62 : rot 180:sc= -5.34! USER MOD Single : B1100 33B O72 : rot 37:sc= 2.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.130 6.433 16.721 1.00 4.13 N ATOM 2 CA MET A 1 -1.141 7.032 15.825 1.00 3.61 C ATOM 3 C MET A 1 -0.479 8.035 14.887 1.00 2.48 C ATOM 4 O MET A 1 -0.322 9.211 15.224 1.00 2.89 O ATOM 5 CB MET A 1 -2.247 7.718 16.636 1.00 4.18 C ATOM 6 CG MET A 1 -3.396 8.244 15.786 1.00 4.89 C ATOM 7 SD MET A 1 -4.658 9.095 16.757 1.00 5.86 S ATOM 8 CE MET A 1 -3.722 10.489 17.382 1.00 6.21 C ATOM 0 H1 MET A 1 -0.593 6.088 17.586 1.00 4.13 H new ATOM 0 H2 MET A 1 0.336 5.639 16.237 1.00 4.13 H new ATOM 0 H3 MET A 1 0.580 7.150 16.972 1.00 4.13 H new ATOM 0 HA MET A 1 -1.593 6.236 15.234 1.00 3.61 H new ATOM 0 HB2 MET A 1 -2.641 7.011 17.366 1.00 4.18 H new ATOM 0 HB3 MET A 1 -1.813 8.546 17.197 1.00 4.18 H new ATOM 0 HG2 MET A 1 -3.001 8.927 15.034 1.00 4.89 H new ATOM 0 HG3 MET A 1 -3.856 7.413 15.251 1.00 4.89 H new ATOM 0 HE1 MET A 1 -4.407 11.279 17.690 1.00 6.21 H new ATOM 0 HE2 MET A 1 -3.125 10.172 18.237 1.00 6.21 H new ATOM 0 HE3 MET A 1 -3.063 10.865 16.599 1.00 6.21 H new ATOM 20 N SER A 2 -0.064 7.563 13.726 1.00 1.64 N ATOM 21 CA SER A 2 0.575 8.415 12.745 1.00 0.95 C ATOM 22 C SER A 2 -0.421 8.834 11.668 1.00 0.84 C ATOM 23 O SER A 2 -0.890 8.014 10.878 1.00 1.03 O ATOM 24 CB SER A 2 1.763 7.686 12.120 1.00 1.55 C ATOM 25 OG SER A 2 2.657 7.231 13.124 1.00 1.87 O ATOM 0 H SER A 2 -0.160 6.589 13.440 1.00 1.64 H new ATOM 0 HA SER A 2 0.935 9.315 13.243 1.00 0.95 H new ATOM 0 HB2 SER A 2 1.408 6.840 11.531 1.00 1.55 H new ATOM 0 HB3 SER A 2 2.286 8.353 11.435 1.00 1.55 H new ATOM 0 HG SER A 2 3.410 6.765 12.705 1.00 1.87 H new ATOM 31 N GLN A 3 -0.739 10.121 11.632 1.00 0.73 N ATOM 32 CA GLN A 3 -1.656 10.652 10.635 1.00 0.73 C ATOM 33 C GLN A 3 -0.978 10.666 9.269 1.00 0.61 C ATOM 34 O GLN A 3 -1.605 10.935 8.250 1.00 0.64 O ATOM 35 CB GLN A 3 -2.108 12.060 11.018 1.00 0.83 C ATOM 36 CG GLN A 3 -3.356 12.511 10.283 1.00 1.13 C ATOM 37 CD GLN A 3 -4.590 11.729 10.690 1.00 1.76 C ATOM 38 OE1 GLN A 3 -4.692 11.248 11.818 1.00 2.42 O ATOM 39 NE2 GLN A 3 -5.542 11.606 9.779 1.00 2.22 N ATOM 0 H GLN A 3 -0.375 10.817 12.283 1.00 0.73 H new ATOM 0 HA GLN A 3 -2.537 10.012 10.589 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -2.295 12.095 12.091 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.300 12.762 10.812 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.523 13.571 10.475 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.200 12.402 9.210 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -5.420 12.019 8.855 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -6.398 11.098 10.001 1.00 2.22 H new ATOM 48 N SER A 4 0.310 10.354 9.261 1.00 0.55 N ATOM 49 CA SER A 4 1.076 10.278 8.033 1.00 0.52 C ATOM 50 C SER A 4 0.751 8.982 7.285 1.00 0.45 C ATOM 51 O SER A 4 1.030 8.858 6.090 1.00 0.46 O ATOM 52 CB SER A 4 2.568 10.370 8.361 1.00 0.61 C ATOM 53 OG SER A 4 2.940 9.351 9.275 1.00 1.25 O ATOM 0 H SER A 4 0.848 10.148 10.103 1.00 0.55 H new ATOM 0 HA SER A 4 0.810 11.111 7.382 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.154 10.278 7.446 1.00 0.61 H new ATOM 0 HB3 SER A 4 2.793 11.348 8.786 1.00 0.61 H new ATOM 0 HG SER A 4 3.915 9.342 9.376 1.00 1.25 H new ATOM 59 N ASN A 5 0.131 8.023 7.990 1.00 0.43 N ATOM 60 CA ASN A 5 -0.322 6.783 7.354 1.00 0.39 C ATOM 61 C ASN A 5 -1.441 7.095 6.378 1.00 0.35 C ATOM 62 O ASN A 5 -1.753 6.296 5.498 1.00 0.35 O ATOM 63 CB ASN A 5 -0.851 5.755 8.359 1.00 0.40 C ATOM 64 CG ASN A 5 0.104 5.415 9.483 1.00 0.80 C ATOM 65 OD1 ASN A 5 1.323 5.450 9.328 1.00 1.78 O ATOM 66 ND2 ASN A 5 -0.467 5.073 10.627 1.00 0.53 N ATOM 0 H ASN A 5 -0.065 8.083 8.989 1.00 0.43 H new ATOM 0 HA ASN A 5 0.546 6.356 6.853 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.778 6.134 8.791 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -1.100 4.839 7.823 1.00 0.40 H new ATOM 0 HD21 ASN A 5 0.110 4.823 11.430 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.484 5.059 10.705 1.00 0.53 H new ATOM 73 N ARG A 6 -2.059 8.255 6.571 1.00 0.35 N ATOM 74 CA ARG A 6 -3.097 8.738 5.677 1.00 0.34 C ATOM 75 C ARG A 6 -2.626 8.689 4.244 1.00 0.31 C ATOM 76 O ARG A 6 -3.293 8.137 3.382 1.00 0.30 O ATOM 77 CB ARG A 6 -3.476 10.171 6.034 1.00 0.41 C ATOM 78 CG ARG A 6 -4.828 10.280 6.690 1.00 0.59 C ATOM 79 CD ARG A 6 -5.919 9.829 5.741 1.00 0.41 C ATOM 80 NE ARG A 6 -7.226 9.828 6.391 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.999 10.906 6.531 1.00 0.69 C ATOM 82 NH1 ARG A 6 -7.617 12.085 6.048 1.00 1.40 N ATOM 83 NH2 ARG A 6 -9.157 10.802 7.167 1.00 0.93 N ATOM 0 H ARG A 6 -1.854 8.882 7.349 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.969 8.094 5.789 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -2.720 10.584 6.702 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -3.468 10.779 5.129 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.850 9.671 7.594 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -5.008 11.311 6.996 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -5.943 10.488 4.873 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.693 8.828 5.374 1.00 0.41 H new ATOM 0 HE ARG A 6 -7.571 8.943 6.763 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -6.724 12.173 5.564 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.218 12.902 6.162 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -9.452 9.902 7.546 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.753 11.622 7.278 1.00 0.93 H new ATOM 97 N GLU A 7 -1.459 9.257 4.018 1.00 0.30 N ATOM 98 CA GLU A 7 -0.861 9.320 2.695 1.00 0.29 C ATOM 99 C GLU A 7 -0.714 7.931 2.092 1.00 0.25 C ATOM 100 O GLU A 7 -1.052 7.710 0.935 1.00 0.26 O ATOM 101 CB GLU A 7 0.509 9.978 2.799 1.00 0.31 C ATOM 102 CG GLU A 7 0.459 11.379 3.365 1.00 0.40 C ATOM 103 CD GLU A 7 1.827 11.992 3.537 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.482 12.293 2.519 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.249 12.194 4.694 1.00 0.53 O ATOM 0 H GLU A 7 -0.894 9.691 4.748 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.513 9.905 2.046 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.153 9.363 3.427 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.965 10.010 1.810 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.136 12.011 2.706 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.048 11.358 4.330 1.00 0.40 H new ATOM 112 N LEU A 8 -0.188 7.013 2.893 1.00 0.26 N ATOM 113 CA LEU A 8 -0.038 5.616 2.522 1.00 0.27 C ATOM 114 C LEU A 8 -1.353 5.038 2.002 1.00 0.28 C ATOM 115 O LEU A 8 -1.362 4.127 1.183 1.00 0.40 O ATOM 116 CB LEU A 8 0.427 4.837 3.754 1.00 0.34 C ATOM 117 CG LEU A 8 1.886 5.043 4.200 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.375 6.481 4.038 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.048 4.599 5.646 1.00 1.16 C ATOM 0 H LEU A 8 0.151 7.223 3.832 1.00 0.26 H new ATOM 0 HA LEU A 8 0.696 5.534 1.721 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.223 5.102 4.588 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.279 3.775 3.559 1.00 0.34 H new ATOM 0 HG LEU A 8 2.504 4.432 3.542 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.410 6.553 4.371 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.310 6.771 2.989 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.754 7.146 4.638 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.082 4.746 5.958 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.389 5.188 6.284 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.789 3.544 5.734 1.00 1.16 H new ATOM 131 N VAL A 9 -2.457 5.540 2.523 1.00 0.23 N ATOM 132 CA VAL A 9 -3.765 5.193 2.011 1.00 0.23 C ATOM 133 C VAL A 9 -4.111 6.055 0.791 1.00 0.23 C ATOM 134 O VAL A 9 -4.187 5.571 -0.340 1.00 0.24 O ATOM 135 CB VAL A 9 -4.820 5.373 3.118 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.222 5.154 2.588 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.531 4.421 4.265 1.00 0.27 C ATOM 0 H VAL A 9 -2.471 6.194 3.306 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.757 4.149 1.696 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.762 6.399 3.480 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.941 5.289 3.396 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.428 5.873 1.795 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.307 4.142 2.191 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.281 4.553 5.045 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.562 3.394 3.902 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.542 4.632 4.673 1.00 0.27 H new ATOM 147 N VAL A 10 -4.284 7.344 1.055 1.00 0.23 N ATOM 148 CA VAL A 10 -4.765 8.329 0.081 1.00 0.25 C ATOM 149 C VAL A 10 -4.010 8.294 -1.243 1.00 0.25 C ATOM 150 O VAL A 10 -4.627 8.164 -2.304 1.00 0.27 O ATOM 151 CB VAL A 10 -4.641 9.740 0.671 1.00 0.28 C ATOM 152 CG1 VAL A 10 -5.181 10.785 -0.282 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.353 9.800 2.000 1.00 0.32 C ATOM 0 H VAL A 10 -4.091 7.748 1.972 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.803 8.071 -0.126 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.585 9.960 0.826 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -5.078 11.773 0.166 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.620 10.750 -1.216 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.234 10.585 -0.483 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.263 10.803 2.416 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.407 9.559 1.860 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.905 9.081 2.686 1.00 0.32 H new ATOM 163 N ASP A 11 -2.688 8.432 -1.171 1.00 0.26 N ATOM 164 CA ASP A 11 -1.839 8.533 -2.359 1.00 0.28 C ATOM 165 C ASP A 11 -2.128 7.408 -3.345 1.00 0.31 C ATOM 166 O ASP A 11 -2.066 7.594 -4.563 1.00 0.35 O ATOM 167 CB ASP A 11 -0.361 8.498 -1.948 1.00 0.32 C ATOM 168 CG ASP A 11 0.583 8.537 -3.133 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.904 9.643 -3.609 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.000 7.458 -3.604 1.00 0.49 O ATOM 0 H ASP A 11 -2.175 8.477 -0.291 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.060 9.480 -2.852 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.151 9.345 -1.295 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.172 7.594 -1.369 1.00 0.32 H new ATOM 175 N PHE A 12 -2.478 6.251 -2.812 1.00 0.32 N ATOM 176 CA PHE A 12 -2.693 5.080 -3.631 1.00 0.38 C ATOM 177 C PHE A 12 -4.129 4.953 -4.088 1.00 0.34 C ATOM 178 O PHE A 12 -4.367 4.513 -5.209 1.00 0.39 O ATOM 179 CB PHE A 12 -2.246 3.838 -2.894 1.00 0.46 C ATOM 180 CG PHE A 12 -0.773 3.870 -2.635 1.00 0.76 C ATOM 181 CD1 PHE A 12 0.116 3.462 -3.613 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.274 4.327 -1.430 1.00 1.24 C ATOM 183 CE1 PHE A 12 1.474 3.510 -3.391 1.00 1.38 C ATOM 184 CE2 PHE A 12 1.082 4.372 -1.202 1.00 1.61 C ATOM 185 CZ PHE A 12 1.958 3.964 -2.183 1.00 1.61 C ATOM 0 H PHE A 12 -2.619 6.101 -1.813 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.089 5.194 -4.531 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -2.783 3.758 -1.949 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -2.497 2.953 -3.479 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.259 3.102 -4.560 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.956 4.652 -0.659 1.00 1.24 H new ATOM 0 HE1 PHE A 12 2.159 3.192 -4.163 1.00 1.38 H new ATOM 0 HE2 PHE A 12 1.459 4.727 -0.254 1.00 1.61 H new ATOM 0 HZ PHE A 12 3.023 4.000 -2.006 1.00 1.61 H new ATOM 195 N LEU A 13 -5.094 5.340 -3.252 1.00 0.28 N ATOM 196 CA LEU A 13 -6.477 5.352 -3.713 1.00 0.28 C ATOM 197 C LEU A 13 -6.594 6.298 -4.896 1.00 0.30 C ATOM 198 O LEU A 13 -7.291 6.012 -5.867 1.00 0.34 O ATOM 199 CB LEU A 13 -7.463 5.746 -2.609 1.00 0.25 C ATOM 200 CG LEU A 13 -7.908 4.592 -1.707 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.053 4.502 -0.474 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.370 4.728 -1.320 1.00 0.27 C ATOM 0 H LEU A 13 -4.950 5.639 -2.287 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.742 4.338 -4.013 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -7.005 6.517 -1.990 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.345 6.190 -3.070 1.00 0.25 H new ATOM 0 HG LEU A 13 -7.787 3.671 -2.278 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.394 3.673 0.146 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.015 4.336 -0.762 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.129 5.432 0.090 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.656 3.894 -0.680 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.519 5.665 -0.783 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -9.986 4.723 -2.219 1.00 0.27 H new ATOM 214 N SER A 14 -5.857 7.397 -4.817 1.00 0.29 N ATOM 215 CA SER A 14 -5.773 8.355 -5.908 1.00 0.33 C ATOM 216 C SER A 14 -5.247 7.684 -7.176 1.00 0.37 C ATOM 217 O SER A 14 -5.791 7.872 -8.267 1.00 0.42 O ATOM 218 CB SER A 14 -4.864 9.518 -5.501 1.00 0.33 C ATOM 219 OG SER A 14 -4.686 10.440 -6.562 1.00 1.05 O ATOM 0 H SER A 14 -5.303 7.648 -3.998 1.00 0.29 H new ATOM 0 HA SER A 14 -6.771 8.739 -6.119 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.293 10.032 -4.641 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.894 9.130 -5.189 1.00 0.33 H new ATOM 0 HG SER A 14 -4.102 11.170 -6.267 1.00 1.05 H new ATOM 225 N TYR A 15 -4.200 6.884 -7.021 1.00 0.37 N ATOM 226 CA TYR A 15 -3.600 6.186 -8.149 1.00 0.45 C ATOM 227 C TYR A 15 -4.562 5.141 -8.711 1.00 0.43 C ATOM 228 O TYR A 15 -4.601 4.903 -9.919 1.00 0.55 O ATOM 229 CB TYR A 15 -2.286 5.524 -7.720 1.00 0.52 C ATOM 230 CG TYR A 15 -1.467 4.977 -8.872 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.531 5.774 -9.522 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.626 3.667 -9.309 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.220 5.282 -10.572 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.879 3.169 -10.358 1.00 1.06 C ATOM 235 CZ TYR A 15 0.041 3.979 -10.986 1.00 1.03 C ATOM 236 OH TYR A 15 0.786 3.486 -12.030 1.00 1.22 O ATOM 0 H TYR A 15 -3.749 6.703 -6.124 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.389 6.913 -8.933 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.686 6.252 -7.174 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.509 4.712 -7.028 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.389 6.795 -9.200 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -2.346 3.028 -8.820 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.943 5.914 -11.066 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -1.016 2.149 -10.685 1.00 1.06 H new ATOM 0 HH TYR A 15 0.539 2.552 -12.196 1.00 1.22 H new ATOM 246 N LYS A 16 -5.355 4.532 -7.832 1.00 0.33 N ATOM 247 CA LYS A 16 -6.292 3.494 -8.242 1.00 0.33 C ATOM 248 C LYS A 16 -7.422 4.080 -9.083 1.00 0.33 C ATOM 249 O LYS A 16 -7.926 3.423 -9.983 1.00 0.42 O ATOM 250 CB LYS A 16 -6.873 2.764 -7.031 1.00 0.34 C ATOM 251 CG LYS A 16 -5.842 2.090 -6.129 1.00 0.61 C ATOM 252 CD LYS A 16 -5.117 0.925 -6.798 1.00 0.57 C ATOM 253 CE LYS A 16 -3.940 1.385 -7.645 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.920 0.313 -7.803 1.00 1.41 N ATOM 0 H LYS A 16 -5.366 4.740 -6.834 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.738 2.777 -8.847 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.444 3.476 -6.436 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.575 2.008 -7.383 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.108 2.831 -5.813 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.339 1.729 -5.229 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.763 0.234 -6.033 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.819 0.375 -7.424 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.298 1.694 -8.627 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.480 2.259 -7.184 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.390 0.465 -8.685 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.264 0.336 -6.996 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.392 -0.613 -7.839 1.00 1.41 H new ATOM 268 N LEU A 17 -7.818 5.313 -8.791 1.00 0.33 N ATOM 269 CA LEU A 17 -8.842 5.984 -9.594 1.00 0.32 C ATOM 270 C LEU A 17 -8.270 6.401 -10.947 1.00 0.35 C ATOM 271 O LEU A 17 -8.986 6.448 -11.949 1.00 0.36 O ATOM 272 CB LEU A 17 -9.410 7.219 -8.879 1.00 0.35 C ATOM 273 CG LEU A 17 -10.487 6.961 -7.818 1.00 0.53 C ATOM 274 CD1 LEU A 17 -11.029 5.545 -7.907 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.944 7.253 -6.434 1.00 1.15 C ATOM 0 H LEU A 17 -7.453 5.866 -8.015 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.653 5.271 -9.741 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.584 7.748 -8.405 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.827 7.888 -9.632 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.320 7.637 -8.011 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.790 5.398 -7.140 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.470 5.385 -8.891 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.217 4.834 -7.753 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.720 7.065 -5.692 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -9.088 6.608 -6.235 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.633 8.296 -6.378 1.00 1.15 H new ATOM 287 N SER A 18 -6.973 6.685 -10.966 1.00 0.41 N ATOM 288 CA SER A 18 -6.305 7.186 -12.163 1.00 0.48 C ATOM 289 C SER A 18 -6.366 6.167 -13.305 1.00 0.51 C ATOM 290 O SER A 18 -6.525 6.538 -14.468 1.00 0.58 O ATOM 291 CB SER A 18 -4.849 7.540 -11.838 1.00 0.57 C ATOM 292 OG SER A 18 -4.229 8.231 -12.911 1.00 0.94 O ATOM 0 H SER A 18 -6.358 6.576 -10.159 1.00 0.41 H new ATOM 0 HA SER A 18 -6.827 8.084 -12.494 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.815 8.156 -10.939 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.292 6.629 -11.621 1.00 0.57 H new ATOM 0 HG SER A 18 -3.303 8.443 -12.672 1.00 0.94 H new ATOM 298 N GLN A 19 -6.273 4.885 -12.967 1.00 0.52 N ATOM 299 CA GLN A 19 -6.305 3.821 -13.972 1.00 0.57 C ATOM 300 C GLN A 19 -7.723 3.560 -14.471 1.00 0.51 C ATOM 301 O GLN A 19 -7.946 2.722 -15.343 1.00 0.59 O ATOM 302 CB GLN A 19 -5.703 2.537 -13.407 1.00 0.68 C ATOM 303 CG GLN A 19 -6.251 2.177 -12.046 1.00 0.84 C ATOM 304 CD GLN A 19 -5.723 0.862 -11.515 1.00 0.97 C ATOM 305 OE1 GLN A 19 -4.687 0.814 -10.854 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.439 -0.214 -11.793 1.00 1.19 N ATOM 0 H GLN A 19 -6.175 4.555 -12.007 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.708 4.153 -14.821 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.896 1.717 -14.099 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.621 2.649 -13.339 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.004 2.971 -11.341 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.338 2.128 -12.102 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.293 -0.130 -12.345 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.138 -1.128 -11.456 1.00 1.19 H new ATOM 315 N LYS A 20 -8.677 4.281 -13.910 1.00 0.45 N ATOM 316 CA LYS A 20 -10.080 4.123 -14.275 1.00 0.49 C ATOM 317 C LYS A 20 -10.550 5.366 -14.995 1.00 0.48 C ATOM 318 O LYS A 20 -11.485 5.339 -15.797 1.00 0.53 O ATOM 319 CB LYS A 20 -10.927 3.926 -13.025 1.00 0.57 C ATOM 320 CG LYS A 20 -10.217 3.170 -11.923 1.00 0.49 C ATOM 321 CD LYS A 20 -9.880 1.744 -12.322 1.00 1.20 C ATOM 322 CE LYS A 20 -11.110 0.998 -12.816 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.849 -0.452 -13.008 1.00 2.20 N ATOM 0 H LYS A 20 -8.507 4.988 -13.194 1.00 0.45 H new ATOM 0 HA LYS A 20 -10.183 3.252 -14.922 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.232 4.901 -12.646 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.837 3.389 -13.294 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.300 3.696 -11.658 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.846 3.156 -11.033 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.121 1.754 -13.104 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.452 1.218 -11.469 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.922 1.127 -12.101 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.442 1.433 -13.758 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.715 -0.919 -13.345 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.092 -0.579 -13.710 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.557 -0.875 -12.104 1.00 2.20 H new ATOM 337 N GLY A 21 -9.879 6.453 -14.679 1.00 0.45 N ATOM 338 CA GLY A 21 -10.187 7.730 -15.272 1.00 0.49 C ATOM 339 C GLY A 21 -10.969 8.610 -14.328 1.00 0.47 C ATOM 340 O GLY A 21 -11.679 9.522 -14.749 1.00 0.53 O ATOM 0 H GLY A 21 -9.111 6.474 -14.008 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -9.262 8.232 -15.555 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.760 7.578 -16.187 1.00 0.49 H new ATOM 344 N TYR A 22 -10.841 8.330 -13.042 1.00 0.40 N ATOM 345 CA TYR A 22 -11.459 9.153 -12.018 1.00 0.37 C ATOM 346 C TYR A 22 -10.392 9.844 -11.194 1.00 0.36 C ATOM 347 O TYR A 22 -9.219 9.476 -11.244 1.00 0.38 O ATOM 348 CB TYR A 22 -12.344 8.323 -11.089 1.00 0.34 C ATOM 349 CG TYR A 22 -13.560 7.731 -11.764 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.447 6.632 -12.604 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.821 8.275 -11.563 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.555 6.092 -13.225 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.934 7.739 -12.179 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.796 6.649 -13.009 1.00 0.62 C ATOM 355 OH TYR A 22 -16.904 6.112 -13.627 1.00 0.76 O ATOM 0 H TYR A 22 -10.312 7.536 -12.682 1.00 0.40 H new ATOM 0 HA TYR A 22 -12.081 9.892 -12.523 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.749 7.515 -10.663 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.671 8.950 -10.260 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.476 6.192 -12.775 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.933 9.131 -10.914 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.449 5.237 -13.877 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.909 8.173 -12.011 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.701 6.620 -13.369 1.00 0.76 H new ATOM 365 N SER A 23 -10.800 10.847 -10.448 1.00 0.37 N ATOM 366 CA SER A 23 -9.897 11.538 -9.558 1.00 0.39 C ATOM 367 C SER A 23 -10.275 11.251 -8.116 1.00 0.35 C ATOM 368 O SER A 23 -11.457 11.140 -7.789 1.00 0.34 O ATOM 369 CB SER A 23 -9.967 13.031 -9.812 1.00 0.45 C ATOM 370 OG SER A 23 -8.770 13.690 -9.430 1.00 0.52 O ATOM 0 H SER A 23 -11.756 11.203 -10.441 1.00 0.37 H new ATOM 0 HA SER A 23 -8.881 11.188 -9.741 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.158 13.211 -10.870 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.806 13.454 -9.260 1.00 0.45 H new ATOM 0 HG SER A 23 -8.934 14.226 -8.626 1.00 0.52 H new ATOM 376 N TRP A 24 -9.277 11.134 -7.265 1.00 0.37 N ATOM 377 CA TRP A 24 -9.508 10.975 -5.845 1.00 0.36 C ATOM 378 C TRP A 24 -10.130 12.242 -5.270 1.00 0.35 C ATOM 379 O TRP A 24 -11.145 12.184 -4.578 1.00 0.34 O ATOM 380 CB TRP A 24 -8.192 10.638 -5.128 1.00 0.45 C ATOM 381 CG TRP A 24 -8.088 11.212 -3.749 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.680 10.740 -2.615 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.346 12.376 -3.363 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.366 11.550 -1.553 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.546 12.559 -1.986 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.536 13.283 -4.053 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.967 13.611 -1.282 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.961 14.326 -3.354 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.180 14.482 -1.981 1.00 3.13 C ATOM 0 H TRP A 24 -8.293 11.146 -7.534 1.00 0.37 H new ATOM 0 HA TRP A 24 -10.203 10.150 -5.688 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -8.089 9.554 -5.069 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.359 11.005 -5.727 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.303 9.860 -2.561 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.691 11.422 -0.595 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.363 13.170 -5.113 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.134 13.734 -0.222 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.332 15.032 -3.875 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.717 15.309 -1.463 1.00 3.13 H new ATOM 400 N SER A 25 -9.534 13.384 -5.593 1.00 0.39 N ATOM 401 CA SER A 25 -9.948 14.653 -5.015 1.00 0.44 C ATOM 402 C SER A 25 -11.373 15.025 -5.418 1.00 0.43 C ATOM 403 O SER A 25 -12.067 15.721 -4.676 1.00 0.49 O ATOM 404 CB SER A 25 -8.967 15.751 -5.419 1.00 0.53 C ATOM 405 OG SER A 25 -8.587 15.619 -6.781 1.00 1.37 O ATOM 0 H SER A 25 -8.761 13.455 -6.254 1.00 0.39 H new ATOM 0 HA SER A 25 -9.941 14.547 -3.930 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.423 16.728 -5.258 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.082 15.704 -4.785 1.00 0.53 H new ATOM 0 HG SER A 25 -7.960 16.334 -7.016 1.00 1.37 H new ATOM 411 N GLN A 26 -11.811 14.552 -6.586 1.00 0.40 N ATOM 412 CA GLN A 26 -13.187 14.773 -7.032 1.00 0.42 C ATOM 413 C GLN A 26 -14.183 14.230 -6.017 1.00 0.38 C ATOM 414 O GLN A 26 -15.261 14.787 -5.822 1.00 0.41 O ATOM 415 CB GLN A 26 -13.440 14.088 -8.377 1.00 0.47 C ATOM 416 CG GLN A 26 -12.801 14.775 -9.565 1.00 0.59 C ATOM 417 CD GLN A 26 -13.022 14.003 -10.853 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.159 12.777 -10.841 1.00 1.11 O ATOM 419 NE2 GLN A 26 -13.041 14.707 -11.971 1.00 1.10 N ATOM 0 H GLN A 26 -11.236 14.016 -7.237 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.323 15.849 -7.137 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -13.070 13.064 -8.324 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.516 14.030 -8.543 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -13.213 15.779 -9.668 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.731 14.886 -9.388 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.924 15.720 -11.938 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -13.173 14.238 -12.867 1.00 1.10 H new ATOM 428 N PHE A 27 -13.801 13.146 -5.366 1.00 0.35 N ATOM 429 CA PHE A 27 -14.711 12.406 -4.515 1.00 0.38 C ATOM 430 C PHE A 27 -14.208 12.354 -3.081 1.00 0.43 C ATOM 431 O PHE A 27 -14.702 11.573 -2.267 1.00 0.67 O ATOM 432 CB PHE A 27 -14.852 10.996 -5.081 1.00 0.43 C ATOM 433 CG PHE A 27 -15.340 10.987 -6.502 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.616 11.428 -6.811 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.528 10.525 -7.525 1.00 0.94 C ATOM 436 CE1 PHE A 27 -17.073 11.411 -8.115 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.980 10.504 -8.832 1.00 1.20 C ATOM 438 CZ PHE A 27 -16.230 10.993 -9.135 1.00 1.28 C ATOM 0 H PHE A 27 -12.859 12.758 -5.412 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.679 12.906 -4.498 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.888 10.490 -5.029 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.544 10.427 -4.460 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -17.261 11.789 -6.024 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.531 10.177 -7.299 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -18.083 11.722 -8.340 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.352 10.104 -9.614 1.00 1.20 H new ATOM 0 HZ PHE A 27 -16.554 11.051 -10.164 1.00 1.28 H new ATOM 448 N SER A 28 -13.245 13.201 -2.762 1.00 0.39 N ATOM 449 CA SER A 28 -12.585 13.119 -1.476 1.00 0.42 C ATOM 450 C SER A 28 -13.092 14.150 -0.484 1.00 0.58 C ATOM 451 O SER A 28 -13.987 14.945 -0.768 1.00 1.01 O ATOM 452 CB SER A 28 -11.074 13.253 -1.636 1.00 0.62 C ATOM 453 OG SER A 28 -10.700 14.577 -1.994 1.00 1.81 O ATOM 0 H SER A 28 -12.907 13.946 -3.371 1.00 0.39 H new ATOM 0 HA SER A 28 -12.825 12.136 -1.071 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.583 12.975 -0.703 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.725 12.557 -2.399 1.00 0.62 H new ATOM 0 HG SER A 28 -9.737 14.694 -1.855 1.00 1.81 H new ATOM 459 N ASP A 29 -12.495 14.078 0.691 1.00 0.63 N ATOM 460 CA ASP A 29 -12.784 14.953 1.811 1.00 0.84 C ATOM 461 C ASP A 29 -11.705 14.737 2.866 1.00 0.88 C ATOM 462 O ASP A 29 -11.441 15.595 3.704 1.00 1.03 O ATOM 463 CB ASP A 29 -14.168 14.640 2.383 1.00 1.04 C ATOM 464 CG ASP A 29 -14.488 15.429 3.641 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.871 16.612 3.524 1.00 1.85 O ATOM 466 OD2 ASP A 29 -14.339 14.878 4.751 1.00 2.31 O ATOM 0 H ASP A 29 -11.773 13.388 0.898 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.787 15.994 1.489 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.923 14.853 1.626 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.230 13.575 2.604 1.00 1.04 H new ATOM 471 N VAL A 30 -11.052 13.581 2.750 1.00 0.80 N ATOM 472 CA VAL A 30 -10.024 13.128 3.681 1.00 0.82 C ATOM 473 C VAL A 30 -8.861 14.118 3.804 1.00 0.82 C ATOM 474 O VAL A 30 -8.722 14.786 4.822 1.00 0.92 O ATOM 475 CB VAL A 30 -9.500 11.742 3.236 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.522 10.671 3.554 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.199 11.725 1.741 1.00 0.76 C ATOM 0 H VAL A 30 -11.227 12.922 1.991 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.483 13.057 4.667 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.578 11.542 3.781 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -10.142 9.700 3.236 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.709 10.654 4.628 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.451 10.887 3.027 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.832 10.739 1.455 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -10.109 11.949 1.184 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.441 12.474 1.514 1.00 0.76 H new ATOM 487 N GLU A 31 -8.035 14.213 2.771 1.00 0.78 N ATOM 488 CA GLU A 31 -6.927 15.158 2.759 1.00 0.83 C ATOM 489 C GLU A 31 -7.423 16.478 2.216 1.00 0.88 C ATOM 490 O GLU A 31 -6.692 17.464 2.151 1.00 0.98 O ATOM 491 CB GLU A 31 -5.782 14.639 1.891 1.00 0.93 C ATOM 492 CG GLU A 31 -5.276 13.272 2.303 1.00 1.05 C ATOM 493 CD GLU A 31 -4.774 13.242 3.727 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.648 13.719 3.973 1.00 2.46 O ATOM 495 OE2 GLU A 31 -5.501 12.726 4.605 1.00 2.74 O ATOM 0 H GLU A 31 -8.112 13.645 1.927 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.552 15.285 3.774 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -6.115 14.596 0.854 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.956 15.350 1.932 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.078 12.543 2.189 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -4.472 12.969 1.632 1.00 1.05 H new ATOM 502 N GLU A 32 -8.684 16.473 1.827 1.00 0.87 N ATOM 503 CA GLU A 32 -9.317 17.637 1.271 1.00 0.98 C ATOM 504 C GLU A 32 -9.645 18.616 2.389 1.00 1.09 C ATOM 505 O GLU A 32 -9.463 19.826 2.255 1.00 1.24 O ATOM 506 CB GLU A 32 -10.572 17.208 0.513 1.00 0.98 C ATOM 507 CG GLU A 32 -11.377 18.361 -0.053 1.00 1.12 C ATOM 508 CD GLU A 32 -12.522 17.892 -0.922 1.00 1.20 C ATOM 509 OE1 GLU A 32 -12.273 17.124 -1.872 1.00 1.45 O ATOM 510 OE2 GLU A 32 -13.673 18.292 -0.659 1.00 1.17 O ATOM 0 H GLU A 32 -9.293 15.657 1.891 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.649 18.138 0.571 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.282 16.546 -0.303 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.208 16.629 1.183 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.769 18.964 0.766 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.721 19.006 -0.638 1.00 1.12 H new ATOM 517 N ASN A 33 -10.120 18.068 3.498 1.00 1.09 N ATOM 518 CA ASN A 33 -10.430 18.843 4.675 1.00 1.27 C ATOM 519 C ASN A 33 -9.901 18.123 5.906 1.00 1.32 C ATOM 520 O ASN A 33 -10.583 17.279 6.490 1.00 1.68 O ATOM 521 CB ASN A 33 -11.928 19.003 4.806 1.00 1.36 C ATOM 522 CG ASN A 33 -12.574 19.684 3.613 1.00 1.48 C ATOM 523 OD1 ASN A 33 -13.007 18.893 2.643 1.00 1.87 O flip ATOM 524 ND2 ASN A 33 -12.693 20.910 3.567 1.00 1.35 N flip ATOM 0 H ASN A 33 -10.299 17.069 3.600 1.00 1.09 H new ATOM 0 HA ASN A 33 -9.965 19.825 4.588 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.379 18.020 4.941 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -12.146 19.580 5.705 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -12.346 21.485 4.335 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -13.138 21.349 2.761 1.00 1.35 H new ATOM 531 N ARG A 34 -8.678 18.428 6.264 1.00 1.22 N ATOM 532 CA ARG A 34 -8.008 17.751 7.362 1.00 1.29 C ATOM 533 C ARG A 34 -7.050 18.665 8.113 1.00 1.17 C ATOM 534 O ARG A 34 -6.963 19.867 7.854 1.00 1.24 O ATOM 535 CB ARG A 34 -7.221 16.561 6.829 1.00 1.50 C ATOM 536 CG ARG A 34 -6.043 16.954 5.952 1.00 1.52 C ATOM 537 CD ARG A 34 -4.986 15.865 5.925 1.00 1.91 C ATOM 538 NE ARG A 34 -4.226 15.825 7.172 1.00 2.18 N ATOM 539 CZ ARG A 34 -3.164 15.050 7.377 1.00 2.65 C ATOM 540 NH1 ARG A 34 -2.779 14.175 6.451 1.00 2.89 N ATOM 541 NH2 ARG A 34 -2.493 15.142 8.519 1.00 3.39 N ATOM 0 H ARG A 34 -8.116 19.148 5.809 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.784 17.428 8.056 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -6.856 15.971 7.670 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -7.891 15.920 6.257 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -6.392 17.150 4.938 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -5.604 17.880 6.323 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -5.462 14.899 5.757 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -4.307 16.036 5.089 1.00 1.91 H new ATOM 0 HE ARG A 34 -4.529 16.430 7.935 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -3.299 14.095 5.577 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -1.964 13.584 6.615 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -2.792 15.805 9.234 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -1.678 14.550 8.681 1.00 3.39 H new ATOM 555 N THR A 35 -6.343 18.052 9.052 1.00 1.31 N ATOM 556 CA THR A 35 -5.290 18.700 9.812 1.00 1.39 C ATOM 557 C THR A 35 -4.089 19.047 8.948 1.00 1.34 C ATOM 558 O THR A 35 -4.052 18.775 7.748 1.00 1.55 O ATOM 559 CB THR A 35 -4.828 17.793 10.963 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.466 16.501 10.447 1.00 2.05 O ATOM 561 CG2 THR A 35 -5.925 17.643 12.004 1.00 2.25 C ATOM 0 H THR A 35 -6.489 17.076 9.309 1.00 1.31 H new ATOM 0 HA THR A 35 -5.709 19.626 10.205 1.00 1.39 H new ATOM 0 HB THR A 35 -3.961 18.251 11.439 1.00 1.82 H new ATOM 0 HG1 THR A 35 -4.170 15.926 11.183 1.00 2.05 H new ATOM 0 HG21 THR A 35 -5.576 16.997 12.810 1.00 2.25 H new ATOM 0 HG22 THR A 35 -6.179 18.623 12.409 1.00 2.25 H new ATOM 0 HG23 THR A 35 -6.808 17.202 11.541 1.00 2.25 H new ATOM 569 N GLU A 36 -3.109 19.635 9.598 1.00 1.44 N ATOM 570 CA GLU A 36 -1.889 20.077 8.960 1.00 1.68 C ATOM 571 C GLU A 36 -0.934 18.922 8.671 1.00 1.43 C ATOM 572 O GLU A 36 -1.206 18.053 7.842 1.00 1.46 O ATOM 573 CB GLU A 36 -1.202 21.098 9.865 1.00 2.17 C ATOM 574 CG GLU A 36 -1.165 20.684 11.329 1.00 2.49 C ATOM 575 CD GLU A 36 -0.352 21.631 12.181 1.00 2.96 C ATOM 576 OE1 GLU A 36 0.892 21.608 12.079 1.00 3.34 O ATOM 577 OE2 GLU A 36 -0.950 22.401 12.961 1.00 3.30 O ATOM 0 H GLU A 36 -3.138 19.822 10.600 1.00 1.44 H new ATOM 0 HA GLU A 36 -2.152 20.524 8.001 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -0.182 21.254 9.514 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -1.719 22.054 9.779 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -2.183 20.637 11.715 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -0.747 19.680 11.408 1.00 2.49 H new ATOM 584 N ALA A 37 0.173 18.922 9.387 1.00 1.50 N ATOM 585 CA ALA A 37 1.262 17.993 9.139 1.00 1.39 C ATOM 586 C ALA A 37 1.222 16.794 10.075 1.00 1.27 C ATOM 587 O ALA A 37 0.735 16.879 11.204 1.00 1.58 O ATOM 588 CB ALA A 37 2.600 18.699 9.280 1.00 1.92 C ATOM 0 H ALA A 37 0.345 19.566 10.159 1.00 1.50 H new ATOM 0 HA ALA A 37 1.141 17.626 8.120 1.00 1.39 H new ATOM 0 HB1 ALA A 37 3.407 17.991 9.091 1.00 1.92 H new ATOM 0 HB2 ALA A 37 2.658 19.515 8.560 1.00 1.92 H new ATOM 0 HB3 ALA A 37 2.696 19.098 10.290 1.00 1.92 H new ATOM 594 N PRO A 38 1.720 15.654 9.583 1.00 1.10 N ATOM 595 CA PRO A 38 1.936 14.451 10.392 1.00 1.43 C ATOM 596 C PRO A 38 2.987 14.667 11.486 1.00 1.79 C ATOM 597 O PRO A 38 3.815 15.577 11.394 1.00 1.87 O ATOM 598 CB PRO A 38 2.464 13.427 9.375 1.00 1.34 C ATOM 599 CG PRO A 38 2.118 13.962 8.035 1.00 1.26 C ATOM 600 CD PRO A 38 2.084 15.450 8.173 1.00 1.01 C ATOM 0 HA PRO A 38 1.026 14.146 10.908 1.00 1.43 H new ATOM 0 HB2 PRO A 38 3.541 13.297 9.476 1.00 1.34 H new ATOM 0 HB3 PRO A 38 2.009 12.450 9.534 1.00 1.34 H new ATOM 0 HG2 PRO A 38 2.855 13.657 7.292 1.00 1.26 H new ATOM 0 HG3 PRO A 38 1.153 13.580 7.701 1.00 1.26 H new ATOM 0 HD2 PRO A 38 3.050 15.897 7.939 1.00 1.01 H new ATOM 0 HD3 PRO A 38 1.353 15.899 7.500 1.00 1.01 H new ATOM 608 N GLU A 39 2.960 13.820 12.511 1.00 2.28 N ATOM 609 CA GLU A 39 3.987 13.827 13.552 1.00 2.76 C ATOM 610 C GLU A 39 5.154 12.937 13.134 1.00 2.66 C ATOM 611 O GLU A 39 6.091 12.693 13.898 1.00 3.08 O ATOM 612 CB GLU A 39 3.412 13.333 14.881 1.00 3.38 C ATOM 613 CG GLU A 39 2.893 11.905 14.819 1.00 3.52 C ATOM 614 CD GLU A 39 2.398 11.405 16.156 1.00 4.22 C ATOM 615 OE1 GLU A 39 1.371 11.918 16.646 1.00 4.44 O ATOM 616 OE2 GLU A 39 3.035 10.497 16.727 1.00 4.64 O ATOM 0 H GLU A 39 2.234 13.116 12.644 1.00 2.28 H new ATOM 0 HA GLU A 39 4.339 14.850 13.684 1.00 2.76 H new ATOM 0 HB2 GLU A 39 4.183 13.399 15.649 1.00 3.38 H new ATOM 0 HB3 GLU A 39 2.601 13.994 15.186 1.00 3.38 H new ATOM 0 HG2 GLU A 39 2.083 11.849 14.092 1.00 3.52 H new ATOM 0 HG3 GLU A 39 3.687 11.249 14.462 1.00 3.52 H new ATOM 623 N GLY A 40 5.079 12.464 11.904 1.00 2.15 N ATOM 624 CA GLY A 40 6.060 11.539 11.385 1.00 2.04 C ATOM 625 C GLY A 40 5.824 11.284 9.919 1.00 1.57 C ATOM 626 O GLY A 40 5.367 10.218 9.533 1.00 1.75 O ATOM 0 H GLY A 40 4.341 12.710 11.244 1.00 2.15 H new ATOM 0 HA2 GLY A 40 7.062 11.942 11.533 1.00 2.04 H new ATOM 0 HA3 GLY A 40 6.010 10.600 11.936 1.00 2.04 H new ATOM 630 N THR A 41 6.124 12.286 9.112 1.00 1.12 N ATOM 631 CA THR A 41 5.832 12.298 7.698 1.00 0.86 C ATOM 632 C THR A 41 6.735 11.364 6.888 1.00 0.75 C ATOM 633 O THR A 41 6.847 11.498 5.667 1.00 0.85 O ATOM 634 CB THR A 41 5.883 13.727 7.171 1.00 0.80 C ATOM 635 OG1 THR A 41 7.211 14.100 6.781 1.00 0.95 O ATOM 636 CG2 THR A 41 5.391 14.671 8.237 1.00 0.91 C ATOM 0 H THR A 41 6.590 13.134 9.435 1.00 1.12 H new ATOM 0 HA THR A 41 4.822 11.907 7.570 1.00 0.86 H new ATOM 0 HB THR A 41 5.244 13.784 6.290 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.207 15.021 6.446 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.427 15.694 7.862 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.365 14.417 8.502 1.00 0.91 H new ATOM 0 HG23 THR A 41 6.025 14.586 9.119 1.00 0.91 H new ATOM 644 N GLU A 42 7.433 10.486 7.603 1.00 0.69 N ATOM 645 CA GLU A 42 8.187 9.356 7.038 1.00 0.66 C ATOM 646 C GLU A 42 7.594 8.820 5.729 1.00 0.54 C ATOM 647 O GLU A 42 8.333 8.341 4.866 1.00 0.56 O ATOM 648 CB GLU A 42 8.172 8.231 8.068 1.00 0.74 C ATOM 649 CG GLU A 42 6.761 7.769 8.419 1.00 0.65 C ATOM 650 CD GLU A 42 6.716 6.912 9.664 1.00 1.20 C ATOM 651 OE1 GLU A 42 6.789 7.475 10.776 1.00 1.17 O ATOM 652 OE2 GLU A 42 6.593 5.679 9.542 1.00 2.02 O ATOM 0 H GLU A 42 7.495 10.537 8.620 1.00 0.69 H new ATOM 0 HA GLU A 42 9.193 9.709 6.810 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.741 7.385 7.683 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.675 8.568 8.974 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.123 8.641 8.561 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.349 7.206 7.581 1.00 0.65 H new ATOM 659 N SER A 43 6.264 8.902 5.625 1.00 0.48 N ATOM 660 CA SER A 43 5.487 8.411 4.486 1.00 0.43 C ATOM 661 C SER A 43 6.222 8.468 3.160 1.00 0.43 C ATOM 662 O SER A 43 6.230 7.482 2.448 1.00 0.49 O ATOM 663 CB SER A 43 4.193 9.202 4.347 1.00 0.50 C ATOM 664 OG SER A 43 4.400 10.572 4.641 1.00 1.25 O ATOM 0 H SER A 43 5.684 9.323 6.351 1.00 0.48 H new ATOM 0 HA SER A 43 5.292 7.361 4.706 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.807 9.099 3.333 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.439 8.792 5.019 1.00 0.50 H new ATOM 0 HG SER A 43 3.557 10.974 4.939 1.00 1.25 H new ATOM 670 N GLU A 44 6.824 9.613 2.841 1.00 0.46 N ATOM 671 CA GLU A 44 7.444 9.844 1.530 1.00 0.52 C ATOM 672 C GLU A 44 8.199 8.617 1.007 1.00 0.51 C ATOM 673 O GLU A 44 7.966 8.177 -0.117 1.00 0.58 O ATOM 674 CB GLU A 44 8.381 11.049 1.599 1.00 0.61 C ATOM 675 CG GLU A 44 9.082 11.354 0.288 1.00 0.72 C ATOM 676 CD GLU A 44 9.961 12.582 0.372 1.00 1.17 C ATOM 677 OE1 GLU A 44 9.438 13.706 0.215 1.00 1.29 O ATOM 678 OE2 GLU A 44 11.180 12.435 0.592 1.00 1.91 O ATOM 0 H GLU A 44 6.897 10.406 3.479 1.00 0.46 H new ATOM 0 HA GLU A 44 6.637 10.044 0.825 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.810 11.925 1.907 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.132 10.871 2.369 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.688 10.497 -0.004 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.336 11.498 -0.494 1.00 0.72 H new ATOM 685 N ALA A 45 9.073 8.050 1.826 1.00 0.48 N ATOM 686 CA ALA A 45 9.840 6.875 1.423 1.00 0.48 C ATOM 687 C ALA A 45 8.989 5.610 1.465 1.00 0.41 C ATOM 688 O ALA A 45 9.125 4.733 0.613 1.00 0.41 O ATOM 689 CB ALA A 45 11.065 6.714 2.310 1.00 0.52 C ATOM 0 H ALA A 45 9.270 8.381 2.770 1.00 0.48 H new ATOM 0 HA ALA A 45 10.163 7.026 0.393 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.627 5.834 1.998 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.697 7.598 2.222 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.750 6.595 3.347 1.00 0.52 H new ATOM 695 N VAL A 46 8.098 5.525 2.444 1.00 0.37 N ATOM 696 CA VAL A 46 7.304 4.317 2.648 1.00 0.34 C ATOM 697 C VAL A 46 6.210 4.184 1.587 1.00 0.34 C ATOM 698 O VAL A 46 5.955 3.088 1.098 1.00 0.39 O ATOM 699 CB VAL A 46 6.718 4.236 4.086 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.151 5.422 4.925 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.205 4.122 4.092 1.00 1.13 C ATOM 0 H VAL A 46 7.906 6.275 3.108 1.00 0.37 H new ATOM 0 HA VAL A 46 7.979 3.469 2.535 1.00 0.34 H new ATOM 0 HB VAL A 46 7.120 3.324 4.527 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.725 5.336 5.924 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.239 5.441 4.995 1.00 1.41 H new ATOM 0 HG13 VAL A 46 6.801 6.344 4.460 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.848 4.069 5.121 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.772 4.995 3.603 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.906 3.221 3.557 1.00 1.13 H new ATOM 711 N LYS A 47 5.585 5.297 1.213 1.00 0.34 N ATOM 712 CA LYS A 47 4.608 5.287 0.134 1.00 0.36 C ATOM 713 C LYS A 47 5.322 4.987 -1.179 1.00 0.39 C ATOM 714 O LYS A 47 4.870 4.169 -1.978 1.00 0.43 O ATOM 715 CB LYS A 47 3.858 6.622 0.045 1.00 0.38 C ATOM 716 CG LYS A 47 4.773 7.831 0.007 1.00 0.49 C ATOM 717 CD LYS A 47 4.051 9.090 -0.411 1.00 0.47 C ATOM 718 CE LYS A 47 3.097 9.546 0.659 1.00 0.47 C ATOM 719 NZ LYS A 47 2.451 10.842 0.311 1.00 0.67 N ATOM 0 H LYS A 47 5.738 6.211 1.639 1.00 0.34 H new ATOM 0 HA LYS A 47 3.868 4.513 0.337 1.00 0.36 H new ATOM 0 HB2 LYS A 47 3.235 6.620 -0.849 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.188 6.711 0.900 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.215 7.979 0.992 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.594 7.640 -0.685 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.776 9.878 -0.616 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.505 8.910 -1.337 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.330 8.787 0.809 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.632 9.649 1.603 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.294 11.395 1.177 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.068 11.376 -0.334 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.539 10.661 -0.154 1.00 0.67 H new ATOM 733 N GLN A 48 6.461 5.642 -1.379 1.00 0.40 N ATOM 734 CA GLN A 48 7.316 5.362 -2.532 1.00 0.46 C ATOM 735 C GLN A 48 7.676 3.887 -2.631 1.00 0.45 C ATOM 736 O GLN A 48 7.813 3.356 -3.726 1.00 0.50 O ATOM 737 CB GLN A 48 8.599 6.183 -2.480 1.00 0.52 C ATOM 738 CG GLN A 48 8.517 7.489 -3.242 1.00 0.58 C ATOM 739 CD GLN A 48 8.033 7.315 -4.677 1.00 0.67 C ATOM 740 OE1 GLN A 48 8.254 6.138 -5.256 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 7.439 8.226 -5.252 1.00 0.63 N flip ATOM 0 H GLN A 48 6.815 6.370 -0.759 1.00 0.40 H new ATOM 0 HA GLN A 48 6.741 5.641 -3.415 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.843 6.395 -1.439 1.00 0.52 H new ATOM 0 HB3 GLN A 48 9.418 5.588 -2.884 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.844 8.167 -2.718 1.00 0.58 H new ATOM 0 HG3 GLN A 48 9.500 7.960 -3.251 1.00 0.58 H new ATOM 0 HE21 GLN A 48 7.287 9.116 -4.777 1.00 0.63 H new ATOM 0 HE22 GLN A 48 7.098 8.092 -6.204 1.00 0.63 H new ATOM 750 N ALA A 49 7.853 3.237 -1.492 1.00 0.42 N ATOM 751 CA ALA A 49 8.157 1.814 -1.470 1.00 0.41 C ATOM 752 C ALA A 49 6.893 0.982 -1.646 1.00 0.39 C ATOM 753 O ALA A 49 6.924 -0.108 -2.214 1.00 0.42 O ATOM 754 CB ALA A 49 8.846 1.445 -0.171 1.00 0.42 C ATOM 0 H ALA A 49 7.792 3.671 -0.571 1.00 0.42 H new ATOM 0 HA ALA A 49 8.827 1.598 -2.303 1.00 0.41 H new ATOM 0 HB1 ALA A 49 9.068 0.378 -0.167 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.774 2.009 -0.078 1.00 0.42 H new ATOM 0 HB3 ALA A 49 8.192 1.682 0.668 1.00 0.42 H new ATOM 760 N LEU A 50 5.783 1.517 -1.167 1.00 0.38 N ATOM 761 CA LEU A 50 4.512 0.814 -1.194 1.00 0.40 C ATOM 762 C LEU A 50 3.988 0.649 -2.616 1.00 0.41 C ATOM 763 O LEU A 50 3.278 -0.308 -2.905 1.00 0.43 O ATOM 764 CB LEU A 50 3.489 1.548 -0.326 1.00 0.45 C ATOM 765 CG LEU A 50 3.016 0.773 0.903 1.00 0.69 C ATOM 766 CD1 LEU A 50 4.200 0.306 1.728 1.00 1.33 C ATOM 767 CD2 LEU A 50 2.083 1.625 1.750 1.00 1.20 C ATOM 0 H LEU A 50 5.737 2.447 -0.750 1.00 0.38 H new ATOM 0 HA LEU A 50 4.673 -0.185 -0.789 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.923 2.492 0.003 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.622 1.792 -0.940 1.00 0.45 H new ATOM 0 HG LEU A 50 2.466 -0.103 0.561 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.843 -0.244 2.599 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.832 -0.344 1.123 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.778 1.170 2.057 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.758 1.054 2.620 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.608 2.522 2.080 1.00 1.20 H new ATOM 0 HD23 LEU A 50 1.213 1.911 1.158 1.00 1.20 H new ATOM 779 N ARG A 51 4.365 1.550 -3.516 1.00 0.44 N ATOM 780 CA ARG A 51 3.916 1.447 -4.899 1.00 0.50 C ATOM 781 C ARG A 51 4.779 0.439 -5.631 1.00 0.52 C ATOM 782 O ARG A 51 4.350 -0.199 -6.593 1.00 0.59 O ATOM 783 CB ARG A 51 3.963 2.803 -5.605 1.00 0.53 C ATOM 784 CG ARG A 51 5.195 3.624 -5.271 1.00 0.52 C ATOM 785 CD ARG A 51 5.433 4.719 -6.290 1.00 0.73 C ATOM 786 NE ARG A 51 4.250 5.539 -6.522 1.00 1.21 N ATOM 787 CZ ARG A 51 4.130 6.390 -7.539 1.00 1.63 C ATOM 788 NH1 ARG A 51 5.156 6.597 -8.360 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.992 7.051 -7.718 1.00 2.17 N ATOM 0 H ARG A 51 4.970 2.347 -3.318 1.00 0.44 H new ATOM 0 HA ARG A 51 2.878 1.113 -4.904 1.00 0.50 H new ATOM 0 HB2 ARG A 51 3.925 2.643 -6.683 1.00 0.53 H new ATOM 0 HB3 ARG A 51 3.074 3.373 -5.336 1.00 0.53 H new ATOM 0 HG2 ARG A 51 5.080 4.067 -4.282 1.00 0.52 H new ATOM 0 HG3 ARG A 51 6.067 2.971 -5.229 1.00 0.52 H new ATOM 0 HD2 ARG A 51 6.250 5.355 -5.949 1.00 0.73 H new ATOM 0 HD3 ARG A 51 5.750 4.271 -7.232 1.00 0.73 H new ATOM 0 HE ARG A 51 3.471 5.456 -5.869 1.00 1.21 H new ATOM 0 HH11 ARG A 51 6.036 6.103 -8.211 1.00 1.96 H new ATOM 0 HH12 ARG A 51 5.063 7.249 -9.139 1.00 1.96 H new ATOM 0 HH21 ARG A 51 2.212 6.906 -7.077 1.00 2.17 H new ATOM 0 HH22 ARG A 51 2.898 7.703 -8.496 1.00 2.17 H new ATOM 803 N GLU A 52 5.994 0.297 -5.139 1.00 0.49 N ATOM 804 CA GLU A 52 6.943 -0.661 -5.662 1.00 0.54 C ATOM 805 C GLU A 52 6.511 -2.071 -5.283 1.00 0.53 C ATOM 806 O GLU A 52 6.346 -2.936 -6.146 1.00 0.58 O ATOM 807 CB GLU A 52 8.318 -0.348 -5.085 1.00 0.59 C ATOM 808 CG GLU A 52 8.779 1.077 -5.350 1.00 0.63 C ATOM 809 CD GLU A 52 9.562 1.199 -6.640 1.00 0.87 C ATOM 810 OE1 GLU A 52 10.800 1.011 -6.612 1.00 1.10 O ATOM 811 OE2 GLU A 52 8.950 1.478 -7.691 1.00 1.07 O ATOM 0 H GLU A 52 6.351 0.848 -4.359 1.00 0.49 H new ATOM 0 HA GLU A 52 6.984 -0.597 -6.749 1.00 0.54 H new ATOM 0 HB2 GLU A 52 8.299 -0.521 -4.009 1.00 0.59 H new ATOM 0 HB3 GLU A 52 9.046 -1.041 -5.507 1.00 0.59 H new ATOM 0 HG2 GLU A 52 7.911 1.735 -5.391 1.00 0.63 H new ATOM 0 HG3 GLU A 52 9.397 1.417 -4.519 1.00 0.63 H new ATOM 818 N ALA A 53 6.306 -2.283 -3.986 1.00 0.49 N ATOM 819 CA ALA A 53 5.819 -3.561 -3.483 1.00 0.48 C ATOM 820 C ALA A 53 4.415 -3.835 -3.999 1.00 0.49 C ATOM 821 O ALA A 53 4.081 -4.967 -4.351 1.00 0.53 O ATOM 822 CB ALA A 53 5.825 -3.576 -1.961 1.00 0.45 C ATOM 0 H ALA A 53 6.471 -1.583 -3.263 1.00 0.49 H new ATOM 0 HA ALA A 53 6.486 -4.344 -3.843 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.458 -4.539 -1.605 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.841 -3.419 -1.600 1.00 0.45 H new ATOM 0 HB3 ALA A 53 5.180 -2.781 -1.587 1.00 0.45 H new ATOM 828 N GLY A 54 3.604 -2.784 -4.046 1.00 0.49 N ATOM 829 CA GLY A 54 2.244 -2.900 -4.527 1.00 0.53 C ATOM 830 C GLY A 54 2.187 -3.428 -5.938 1.00 0.60 C ATOM 831 O GLY A 54 1.505 -4.408 -6.205 1.00 0.70 O ATOM 0 H GLY A 54 3.871 -1.843 -3.755 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.682 -3.563 -3.869 1.00 0.53 H new ATOM 0 HA3 GLY A 54 1.760 -1.924 -4.485 1.00 0.53 H new ATOM 835 N ASP A 55 2.940 -2.797 -6.830 1.00 0.61 N ATOM 836 CA ASP A 55 2.975 -3.194 -8.236 1.00 0.69 C ATOM 837 C ASP A 55 3.294 -4.679 -8.383 1.00 0.70 C ATOM 838 O ASP A 55 2.703 -5.375 -9.209 1.00 0.79 O ATOM 839 CB ASP A 55 4.030 -2.379 -8.982 1.00 0.73 C ATOM 840 CG ASP A 55 4.101 -2.727 -10.454 1.00 0.85 C ATOM 841 OD1 ASP A 55 3.374 -2.103 -11.253 1.00 1.04 O ATOM 842 OD2 ASP A 55 4.887 -3.625 -10.826 1.00 0.82 O ATOM 0 H ASP A 55 3.539 -2.003 -6.605 1.00 0.61 H new ATOM 0 HA ASP A 55 1.989 -3.005 -8.661 1.00 0.69 H new ATOM 0 HB2 ASP A 55 3.807 -1.317 -8.874 1.00 0.73 H new ATOM 0 HB3 ASP A 55 5.005 -2.548 -8.525 1.00 0.73 H new ATOM 847 N GLU A 56 4.227 -5.144 -7.567 1.00 0.66 N ATOM 848 CA GLU A 56 4.667 -6.533 -7.589 1.00 0.74 C ATOM 849 C GLU A 56 3.640 -7.459 -6.944 1.00 0.77 C ATOM 850 O GLU A 56 3.632 -8.663 -7.195 1.00 0.88 O ATOM 851 CB GLU A 56 6.020 -6.674 -6.891 1.00 0.79 C ATOM 852 CG GLU A 56 7.137 -5.902 -7.574 1.00 1.24 C ATOM 853 CD GLU A 56 8.460 -6.030 -6.851 1.00 1.52 C ATOM 854 OE1 GLU A 56 9.101 -7.095 -6.956 1.00 1.43 O ATOM 855 OE2 GLU A 56 8.868 -5.066 -6.171 1.00 2.29 O ATOM 0 H GLU A 56 4.702 -4.570 -6.870 1.00 0.66 H new ATOM 0 HA GLU A 56 4.772 -6.830 -8.633 1.00 0.74 H new ATOM 0 HB2 GLU A 56 5.927 -6.328 -5.861 1.00 0.79 H new ATOM 0 HB3 GLU A 56 6.291 -7.729 -6.850 1.00 0.79 H new ATOM 0 HG2 GLU A 56 7.250 -6.262 -8.597 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.861 -4.849 -7.635 1.00 1.24 H new ATOM 862 N PHE A 57 2.838 -6.915 -6.052 1.00 0.71 N ATOM 863 CA PHE A 57 1.794 -7.691 -5.392 1.00 0.75 C ATOM 864 C PHE A 57 0.490 -7.753 -6.211 1.00 0.78 C ATOM 865 O PHE A 57 -0.085 -8.828 -6.386 1.00 0.91 O ATOM 866 CB PHE A 57 1.506 -7.132 -3.998 1.00 0.76 C ATOM 867 CG PHE A 57 0.887 -8.150 -3.087 1.00 1.09 C ATOM 868 CD1 PHE A 57 -0.462 -8.446 -3.181 1.00 1.71 C ATOM 869 CD2 PHE A 57 1.643 -8.790 -2.122 1.00 1.37 C ATOM 870 CE1 PHE A 57 -1.042 -9.363 -2.330 1.00 2.29 C ATOM 871 CE2 PHE A 57 1.070 -9.710 -1.270 1.00 1.79 C ATOM 872 CZ PHE A 57 -0.243 -10.065 -1.428 1.00 2.20 C ATOM 0 H PHE A 57 2.885 -5.938 -5.763 1.00 0.71 H new ATOM 0 HA PHE A 57 2.173 -8.709 -5.306 1.00 0.75 H new ATOM 0 HB2 PHE A 57 2.435 -6.771 -3.556 1.00 0.76 H new ATOM 0 HB3 PHE A 57 0.839 -6.274 -4.085 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -1.066 -7.954 -3.928 1.00 1.71 H new ATOM 0 HD2 PHE A 57 2.696 -8.566 -2.035 1.00 1.37 H new ATOM 0 HE1 PHE A 57 -2.108 -9.536 -2.362 1.00 2.29 H new ATOM 0 HE2 PHE A 57 1.657 -10.151 -0.478 1.00 1.79 H new ATOM 0 HZ PHE A 57 -0.657 -10.883 -0.858 1.00 2.20 H new ATOM 882 N GLU A 58 0.041 -6.597 -6.713 1.00 0.73 N ATOM 883 CA GLU A 58 -1.322 -6.441 -7.257 1.00 0.82 C ATOM 884 C GLU A 58 -1.640 -7.453 -8.340 1.00 0.82 C ATOM 885 O GLU A 58 -2.649 -8.148 -8.274 1.00 0.89 O ATOM 886 CB GLU A 58 -1.525 -5.044 -7.842 1.00 0.86 C ATOM 887 CG GLU A 58 -1.309 -3.927 -6.849 1.00 0.91 C ATOM 888 CD GLU A 58 -1.652 -2.567 -7.414 1.00 0.93 C ATOM 889 OE1 GLU A 58 -2.758 -2.410 -7.978 1.00 1.30 O ATOM 890 OE2 GLU A 58 -0.826 -1.642 -7.284 1.00 1.24 O ATOM 0 H GLU A 58 0.603 -5.747 -6.756 1.00 0.73 H new ATOM 0 HA GLU A 58 -1.994 -6.604 -6.414 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -0.841 -4.909 -8.680 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.537 -4.971 -8.241 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -1.917 -4.111 -5.963 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.268 -3.930 -6.527 1.00 0.91 H new ATOM 897 N LEU A 59 -0.759 -7.522 -9.321 1.00 0.81 N ATOM 898 CA LEU A 59 -0.947 -8.344 -10.510 1.00 0.87 C ATOM 899 C LEU A 59 -1.284 -9.788 -10.150 1.00 0.85 C ATOM 900 O LEU A 59 -2.046 -10.444 -10.857 1.00 0.96 O ATOM 901 CB LEU A 59 0.324 -8.320 -11.362 1.00 0.96 C ATOM 902 CG LEU A 59 1.528 -9.013 -10.725 1.00 1.06 C ATOM 903 CD1 LEU A 59 2.684 -9.103 -11.680 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.976 -8.290 -9.488 1.00 1.46 C ATOM 0 H LEU A 59 0.119 -7.004 -9.318 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.784 -7.928 -11.071 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.113 -8.795 -12.320 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.586 -7.283 -11.571 1.00 0.96 H new ATOM 0 HG LEU A 59 1.205 -10.020 -10.462 1.00 1.06 H new ATOM 0 HD11 LEU A 59 3.521 -9.602 -11.192 1.00 1.54 H new ATOM 0 HD12 LEU A 59 2.385 -9.673 -12.560 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.985 -8.100 -11.982 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.834 -8.805 -9.056 1.00 1.46 H new ATOM 0 HD22 LEU A 59 2.258 -7.269 -9.745 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.162 -8.270 -8.763 1.00 1.46 H new ATOM 916 N ARG A 60 -0.711 -10.275 -9.050 1.00 0.83 N ATOM 917 CA ARG A 60 -0.936 -11.648 -8.619 1.00 0.90 C ATOM 918 C ARG A 60 -2.432 -11.939 -8.458 1.00 0.98 C ATOM 919 O ARG A 60 -2.954 -12.888 -9.038 1.00 1.15 O ATOM 920 CB ARG A 60 -0.225 -11.952 -7.294 1.00 1.03 C ATOM 921 CG ARG A 60 1.261 -11.628 -7.283 1.00 1.00 C ATOM 922 CD ARG A 60 2.008 -12.485 -6.269 1.00 1.07 C ATOM 923 NE ARG A 60 2.197 -13.851 -6.761 1.00 1.41 N ATOM 924 CZ ARG A 60 1.801 -14.950 -6.121 1.00 1.94 C ATOM 925 NH1 ARG A 60 1.147 -14.865 -4.969 1.00 2.43 N ATOM 926 NH2 ARG A 60 2.052 -16.139 -6.645 1.00 2.58 N ATOM 0 H ARG A 60 -0.090 -9.738 -8.445 1.00 0.83 H new ATOM 0 HA ARG A 60 -0.522 -12.289 -9.397 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.712 -11.389 -6.498 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -0.355 -13.009 -7.062 1.00 1.03 H new ATOM 0 HG2 ARG A 60 1.678 -11.791 -8.277 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.404 -10.574 -7.046 1.00 1.00 H new ATOM 0 HD2 ARG A 60 2.978 -12.036 -6.055 1.00 1.07 H new ATOM 0 HD3 ARG A 60 1.454 -12.508 -5.331 1.00 1.07 H new ATOM 0 HE ARG A 60 2.666 -13.970 -7.659 1.00 1.41 H new ATOM 0 HH11 ARG A 60 0.943 -13.951 -4.565 1.00 2.43 H new ATOM 0 HH12 ARG A 60 0.849 -15.714 -4.488 1.00 2.43 H new ATOM 0 HH21 ARG A 60 2.546 -16.210 -7.534 1.00 2.58 H new ATOM 0 HH22 ARG A 60 1.751 -16.984 -6.159 1.00 2.58 H new ATOM 940 N TYR A 61 -3.107 -11.124 -7.648 1.00 1.04 N ATOM 941 CA TYR A 61 -4.535 -11.306 -7.376 1.00 1.26 C ATOM 942 C TYR A 61 -5.404 -10.482 -8.329 1.00 1.32 C ATOM 943 O TYR A 61 -6.634 -10.550 -8.275 1.00 1.59 O ATOM 944 CB TYR A 61 -4.866 -10.955 -5.915 1.00 1.52 C ATOM 945 CG TYR A 61 -4.714 -9.487 -5.560 1.00 2.19 C ATOM 946 CD1 TYR A 61 -3.481 -8.969 -5.176 1.00 2.70 C ATOM 947 CD2 TYR A 61 -5.796 -8.619 -5.621 1.00 2.84 C ATOM 948 CE1 TYR A 61 -3.335 -7.631 -4.860 1.00 3.67 C ATOM 949 CE2 TYR A 61 -5.656 -7.279 -5.310 1.00 3.86 C ATOM 950 CZ TYR A 61 -4.446 -6.800 -4.887 1.00 4.23 C ATOM 951 OH TYR A 61 -4.282 -5.459 -4.619 1.00 5.32 O ATOM 0 H TYR A 61 -2.687 -10.329 -7.167 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.762 -12.359 -7.543 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -5.892 -11.260 -5.707 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.220 -11.541 -5.261 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -2.623 -9.623 -5.124 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -6.764 -8.997 -5.916 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -2.365 -7.236 -4.595 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -6.500 -6.612 -5.401 1.00 3.86 H new ATOM 0 HH TYR A 61 -5.149 -5.006 -4.676 1.00 5.32 H new ATOM 961 N ARG A 62 -4.750 -9.694 -9.180 1.00 1.28 N ATOM 962 CA ARG A 62 -5.424 -8.731 -10.059 1.00 1.39 C ATOM 963 C ARG A 62 -6.567 -9.358 -10.856 1.00 1.07 C ATOM 964 O ARG A 62 -7.596 -8.717 -11.082 1.00 1.30 O ATOM 965 CB ARG A 62 -4.408 -8.092 -11.010 1.00 1.72 C ATOM 966 CG ARG A 62 -5.019 -7.127 -12.013 1.00 2.15 C ATOM 967 CD ARG A 62 -3.949 -6.411 -12.821 1.00 2.51 C ATOM 968 NE ARG A 62 -3.185 -5.468 -12.005 1.00 3.10 N ATOM 969 CZ ARG A 62 -1.932 -5.101 -12.263 1.00 3.59 C ATOM 970 NH1 ARG A 62 -1.268 -5.643 -13.279 1.00 3.59 N ATOM 971 NH2 ARG A 62 -1.341 -4.197 -11.491 1.00 4.48 N ATOM 0 H ARG A 62 -3.735 -9.703 -9.282 1.00 1.28 H new ATOM 0 HA ARG A 62 -5.865 -7.967 -9.419 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -3.659 -7.562 -10.422 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -3.887 -8.881 -11.552 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -5.681 -7.671 -12.686 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.631 -6.394 -11.488 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -3.271 -7.145 -13.256 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.416 -5.878 -13.649 1.00 2.51 H new ATOM 0 HE ARG A 62 -3.641 -5.066 -11.186 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -1.719 -6.345 -13.866 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -0.308 -5.357 -13.471 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -1.847 -3.788 -10.705 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -0.381 -3.911 -11.683 1.00 4.48 H new ATOM 985 N ARG A 63 -6.392 -10.605 -11.267 1.00 0.98 N ATOM 986 CA ARG A 63 -7.397 -11.298 -12.061 1.00 1.19 C ATOM 987 C ARG A 63 -8.717 -11.441 -11.296 1.00 1.20 C ATOM 988 O ARG A 63 -9.794 -11.420 -11.894 1.00 1.45 O ATOM 989 CB ARG A 63 -6.877 -12.678 -12.472 1.00 1.61 C ATOM 990 CG ARG A 63 -7.827 -13.447 -13.370 1.00 2.18 C ATOM 991 CD ARG A 63 -8.046 -12.731 -14.690 1.00 2.52 C ATOM 992 NE ARG A 63 -9.094 -13.363 -15.484 1.00 3.12 N ATOM 993 CZ ARG A 63 -9.139 -13.329 -16.814 1.00 3.84 C ATOM 994 NH1 ARG A 63 -8.150 -12.772 -17.502 1.00 4.07 N ATOM 995 NH2 ARG A 63 -10.167 -13.868 -17.453 1.00 4.72 N ATOM 0 H ARG A 63 -5.561 -11.160 -11.063 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.590 -10.702 -12.953 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -5.923 -12.558 -12.986 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.684 -13.266 -11.574 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -7.426 -14.443 -13.557 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -8.783 -13.578 -12.863 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -8.312 -11.691 -14.499 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -7.115 -12.723 -15.258 1.00 2.52 H new ATOM 0 HE ARG A 63 -9.836 -13.860 -14.991 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -7.352 -12.368 -17.012 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -8.188 -12.748 -18.521 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -10.921 -14.308 -16.926 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -10.204 -13.843 -18.472 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.636 -11.561 -9.977 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.821 -11.821 -9.172 1.00 1.09 C ATOM 1011 C ALA A 64 -10.505 -10.542 -8.709 1.00 1.08 C ATOM 1012 O ALA A 64 -11.715 -10.411 -8.855 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.476 -12.682 -7.966 1.00 1.17 C ATOM 0 H ALA A 64 -7.769 -11.483 -9.446 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.520 -12.356 -9.815 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.376 -12.863 -7.379 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.065 -13.633 -8.304 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.739 -12.167 -7.350 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.736 -9.593 -8.172 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.319 -8.463 -7.431 1.00 1.22 C ATOM 1021 C PHE A 65 -11.299 -7.645 -8.276 1.00 1.19 C ATOM 1022 O PHE A 65 -12.223 -7.040 -7.743 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.226 -7.558 -6.833 1.00 1.47 C ATOM 1024 CG PHE A 65 -8.687 -6.496 -7.754 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -7.615 -6.756 -8.588 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -9.246 -5.227 -7.769 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -7.111 -5.774 -9.420 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -8.749 -4.243 -8.600 1.00 2.44 C ATOM 1029 CZ PHE A 65 -7.679 -4.517 -9.427 1.00 2.81 C ATOM 0 H PHE A 65 -8.718 -9.580 -8.233 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.891 -8.898 -6.612 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -9.627 -7.073 -5.943 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -8.397 -8.186 -6.507 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -7.166 -7.738 -8.589 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -10.082 -5.005 -7.122 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -6.272 -5.991 -10.065 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -9.197 -3.260 -8.603 1.00 2.44 H new ATOM 0 HZ PHE A 65 -7.287 -3.749 -10.078 1.00 2.81 H new ATOM 1039 N SER A 66 -11.116 -7.644 -9.588 1.00 1.20 N ATOM 1040 CA SER A 66 -12.008 -6.908 -10.472 1.00 1.24 C ATOM 1041 C SER A 66 -13.381 -7.589 -10.528 1.00 1.13 C ATOM 1042 O SER A 66 -14.414 -6.931 -10.670 1.00 1.16 O ATOM 1043 CB SER A 66 -11.390 -6.813 -11.871 1.00 1.45 C ATOM 1044 OG SER A 66 -12.117 -5.926 -12.705 1.00 2.19 O ATOM 0 H SER A 66 -10.362 -8.142 -10.062 1.00 1.20 H new ATOM 0 HA SER A 66 -12.145 -5.899 -10.083 1.00 1.24 H new ATOM 0 HB2 SER A 66 -10.357 -6.473 -11.791 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.365 -7.803 -12.326 1.00 1.45 H new ATOM 0 HG SER A 66 -11.695 -5.888 -13.589 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.381 -8.908 -10.388 1.00 1.09 N ATOM 1051 CA ASP A 67 -14.604 -9.702 -10.453 1.00 1.08 C ATOM 1052 C ASP A 67 -15.220 -9.871 -9.069 1.00 0.97 C ATOM 1053 O ASP A 67 -16.429 -10.071 -8.932 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.296 -11.076 -11.048 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.531 -11.943 -11.202 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.319 -11.701 -12.140 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -15.732 -12.857 -10.376 1.00 2.06 O ATOM 0 H ASP A 67 -12.537 -9.458 -10.227 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.319 -9.178 -11.087 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.825 -10.947 -12.023 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.575 -11.589 -10.411 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.377 -9.770 -8.046 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.786 -10.020 -6.668 1.00 0.85 C ATOM 1064 C LEU A 68 -15.903 -9.091 -6.202 1.00 0.76 C ATOM 1065 O LEU A 68 -16.542 -9.370 -5.193 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.600 -9.893 -5.716 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.424 -10.822 -5.998 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.383 -10.682 -4.911 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -12.878 -12.267 -6.117 1.00 1.56 C ATOM 0 H LEU A 68 -13.395 -9.514 -8.148 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.170 -11.040 -6.650 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -13.242 -8.864 -5.746 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.951 -10.079 -4.701 1.00 0.91 H new ATOM 0 HG LEU A 68 -11.983 -10.534 -6.952 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -10.547 -11.349 -5.120 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -11.027 -9.652 -4.879 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.824 -10.944 -3.949 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -12.016 -12.904 -6.318 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -13.349 -12.578 -5.185 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -13.594 -12.357 -6.934 1.00 1.56 H new ATOM 1081 N THR A 69 -16.127 -7.993 -6.919 1.00 0.70 N ATOM 1082 CA THR A 69 -17.172 -7.036 -6.556 1.00 0.62 C ATOM 1083 C THR A 69 -18.507 -7.738 -6.336 1.00 0.63 C ATOM 1084 O THR A 69 -19.280 -7.372 -5.450 1.00 0.60 O ATOM 1085 CB THR A 69 -17.346 -5.960 -7.643 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.400 -6.571 -8.942 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.215 -4.954 -7.599 1.00 0.63 C ATOM 0 H THR A 69 -15.599 -7.743 -7.755 1.00 0.70 H new ATOM 0 HA THR A 69 -16.857 -6.559 -5.628 1.00 0.62 H new ATOM 0 HB THR A 69 -18.282 -5.436 -7.450 1.00 0.62 H new ATOM 0 HG1 THR A 69 -17.040 -5.951 -9.610 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.363 -4.206 -8.377 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.200 -4.466 -6.625 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.267 -5.465 -7.763 1.00 0.63 H new ATOM 1095 N SER A 70 -18.747 -8.766 -7.136 1.00 0.72 N ATOM 1096 CA SER A 70 -19.956 -9.563 -7.040 1.00 0.80 C ATOM 1097 C SER A 70 -19.986 -10.346 -5.727 1.00 0.76 C ATOM 1098 O SER A 70 -21.043 -10.546 -5.127 1.00 0.76 O ATOM 1099 CB SER A 70 -20.007 -10.528 -8.224 1.00 0.96 C ATOM 1100 OG SER A 70 -21.269 -11.166 -8.326 1.00 1.34 O ATOM 0 H SER A 70 -18.107 -9.070 -7.870 1.00 0.72 H new ATOM 0 HA SER A 70 -20.823 -8.903 -7.060 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.798 -9.985 -9.146 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.226 -11.281 -8.114 1.00 0.96 H new ATOM 0 HG SER A 70 -21.267 -11.774 -9.094 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.811 -10.775 -5.284 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.682 -11.574 -4.072 1.00 0.77 C ATOM 1108 C GLN A 71 -18.774 -10.687 -2.845 1.00 0.67 C ATOM 1109 O GLN A 71 -19.517 -10.971 -1.906 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.343 -12.306 -4.056 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.997 -12.991 -5.362 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.911 -14.030 -5.191 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -15.057 -13.834 -4.202 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.850 -15.010 -5.932 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.926 -10.580 -5.751 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.493 -12.302 -4.058 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.555 -11.594 -3.812 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.358 -13.051 -3.260 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.890 -13.465 -5.770 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.673 -12.245 -6.087 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.529 -15.124 -6.684 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.120 -15.709 -5.794 1.00 1.42 H new ATOM 1123 N LEU A 72 -18.003 -9.608 -2.864 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.988 -8.662 -1.763 1.00 0.55 C ATOM 1125 C LEU A 72 -19.328 -7.946 -1.667 1.00 0.47 C ATOM 1126 O LEU A 72 -19.767 -7.581 -0.579 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.863 -7.637 -1.950 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.441 -8.208 -1.938 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.727 -7.883 -3.239 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.654 -7.669 -0.754 1.00 1.35 C ATOM 0 H LEU A 72 -17.379 -9.368 -3.634 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.811 -9.213 -0.839 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -17.020 -7.120 -2.897 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.942 -6.889 -1.161 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.510 -9.291 -1.840 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.719 -8.296 -3.214 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.276 -8.318 -4.074 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.673 -6.802 -3.364 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.648 -8.087 -0.765 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.596 -6.583 -0.820 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -15.153 -7.950 0.173 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.979 -7.775 -2.813 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.248 -7.058 -2.894 1.00 0.48 C ATOM 1144 C HIS A 73 -21.009 -5.588 -2.609 1.00 0.43 C ATOM 1145 O HIS A 73 -21.506 -5.024 -1.631 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.308 -7.641 -1.944 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.745 -9.026 -2.308 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -22.422 -10.140 -1.564 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.485 -9.476 -3.349 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -22.942 -11.212 -2.133 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -23.591 -10.838 -3.217 1.00 2.62 N ATOM 0 H HIS A 73 -19.644 -8.128 -3.709 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.644 -7.174 -3.903 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.909 -7.650 -0.930 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -23.178 -6.985 -1.938 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.913 -8.874 -4.137 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -22.851 -12.225 -1.771 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -24.090 -11.459 -3.854 1.00 2.62 H new ATOM 1160 N ILE A 74 -20.195 -4.999 -3.468 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.810 -3.607 -3.364 1.00 0.41 C ATOM 1162 C ILE A 74 -21.012 -2.695 -3.557 1.00 0.49 C ATOM 1163 O ILE A 74 -21.702 -2.753 -4.575 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.736 -3.292 -4.410 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.580 -4.282 -4.266 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.246 -1.866 -4.248 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.725 -4.047 -3.043 1.00 0.39 C ATOM 0 H ILE A 74 -19.780 -5.481 -4.265 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.408 -3.430 -2.366 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.163 -3.390 -5.408 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.983 -5.294 -4.227 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.951 -4.224 -5.154 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.483 -1.656 -4.998 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.081 -1.177 -4.377 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.821 -1.738 -3.252 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.926 -4.788 -3.009 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.291 -3.048 -3.089 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.340 -4.135 -2.147 1.00 0.39 H new ATOM 1179 N THR A 75 -21.248 -1.855 -2.571 1.00 0.38 N ATOM 1180 CA THR A 75 -22.462 -1.074 -2.494 1.00 0.40 C ATOM 1181 C THR A 75 -22.189 0.119 -1.547 1.00 0.37 C ATOM 1182 O THR A 75 -21.017 0.382 -1.271 1.00 0.34 O ATOM 1183 CB THR A 75 -23.598 -2.022 -1.998 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.870 -1.649 -2.550 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.681 -2.068 -0.476 1.00 0.46 C ATOM 0 H THR A 75 -20.601 -1.695 -1.799 1.00 0.38 H new ATOM 0 HA THR A 75 -22.777 -0.662 -3.453 1.00 0.40 H new ATOM 0 HB THR A 75 -23.344 -3.022 -2.351 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.561 -2.262 -2.223 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.485 -2.740 -0.176 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.736 -2.429 -0.071 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.881 -1.068 -0.092 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.215 0.904 -1.115 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.133 1.845 0.015 1.00 0.37 C ATOM 1195 C PRO A 76 -22.156 1.435 1.128 1.00 0.35 C ATOM 1196 O PRO A 76 -21.697 0.299 1.174 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.571 1.854 0.551 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.432 1.283 -0.538 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.539 1.019 -1.724 1.00 0.44 C ATOM 0 HA PRO A 76 -22.750 2.811 -0.314 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.650 1.259 1.461 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.885 2.867 0.804 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.912 0.362 -0.206 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.228 1.979 -0.804 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.823 0.107 -2.249 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.581 1.831 -2.450 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.860 2.406 2.006 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.878 2.283 3.101 1.00 0.37 C ATOM 1209 C GLY A 77 -20.663 0.892 3.688 1.00 0.38 C ATOM 1210 O GLY A 77 -19.569 0.587 4.166 1.00 0.40 O ATOM 0 H GLY A 77 -22.307 3.322 1.976 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.918 2.649 2.737 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.187 2.947 3.908 1.00 0.37 H new ATOM 1214 N THR A 78 -21.678 0.046 3.651 1.00 0.40 N ATOM 1215 CA THR A 78 -21.565 -1.312 4.148 1.00 0.42 C ATOM 1216 C THR A 78 -20.654 -2.167 3.259 1.00 0.38 C ATOM 1217 O THR A 78 -20.510 -3.369 3.472 1.00 0.40 O ATOM 1218 CB THR A 78 -22.951 -1.955 4.272 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.690 -1.761 3.058 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.705 -1.334 5.430 1.00 0.56 C ATOM 0 H THR A 78 -22.598 0.280 3.278 1.00 0.40 H new ATOM 0 HA THR A 78 -21.109 -1.264 5.137 1.00 0.42 H new ATOM 0 HB THR A 78 -22.831 -3.023 4.452 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.574 -2.176 3.143 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.689 -1.795 5.513 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.150 -1.495 6.354 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.819 -0.264 5.258 1.00 0.56 H new ATOM 1228 N ALA A 79 -20.013 -1.531 2.279 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.964 -2.171 1.505 1.00 0.31 C ATOM 1230 C ALA A 79 -17.734 -2.361 2.381 1.00 0.30 C ATOM 1231 O ALA A 79 -16.822 -3.111 2.045 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.623 -1.349 0.270 1.00 0.32 C ATOM 0 H ALA A 79 -20.207 -0.568 2.006 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.317 -3.145 1.167 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.835 -1.849 -0.293 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.509 -1.249 -0.356 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.280 -0.360 0.574 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.728 -1.676 3.522 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.682 -1.848 4.517 1.00 0.36 C ATOM 1240 C TYR A 80 -16.903 -3.159 5.260 1.00 0.36 C ATOM 1241 O TYR A 80 -16.002 -3.676 5.908 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.670 -0.663 5.489 1.00 0.44 C ATOM 1243 CG TYR A 80 -15.514 -0.683 6.466 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -14.202 -0.582 6.023 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -15.738 -0.803 7.833 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -13.145 -0.600 6.912 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -14.686 -0.821 8.728 1.00 2.52 C ATOM 1248 CZ TYR A 80 -13.388 -0.719 8.258 1.00 3.12 C ATOM 1249 OH TYR A 80 -12.342 -0.742 9.154 1.00 4.13 O ATOM 0 H TYR A 80 -18.442 -0.994 3.778 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.712 -1.883 4.021 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.633 0.264 4.916 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.606 -0.655 6.048 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -14.005 -0.488 4.965 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -16.750 -0.883 8.201 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -12.131 -0.521 6.549 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -14.875 -0.914 9.787 1.00 2.52 H new ATOM 0 HH TYR A 80 -11.667 -1.385 8.853 1.00 4.13 H new ATOM 1259 N GLN A 81 -18.113 -3.697 5.143 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.425 -5.013 5.681 1.00 0.41 C ATOM 1261 C GLN A 81 -18.005 -6.084 4.687 1.00 0.41 C ATOM 1262 O GLN A 81 -17.709 -7.223 5.044 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.915 -5.134 5.989 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.362 -4.337 7.205 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.842 -4.502 7.494 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.434 -5.537 7.188 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.451 -3.493 8.091 1.00 0.79 N ATOM 0 H GLN A 81 -18.896 -3.238 4.678 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.875 -5.149 6.612 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.483 -4.801 5.120 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -20.159 -6.185 6.146 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.787 -4.654 8.075 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -20.141 -3.282 7.045 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.928 -2.651 8.330 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.444 -3.556 8.313 1.00 0.79 H new ATOM 1276 N SER A 82 -17.997 -5.695 3.435 1.00 0.39 N ATOM 1277 CA SER A 82 -17.459 -6.517 2.361 1.00 0.41 C ATOM 1278 C SER A 82 -15.940 -6.549 2.468 1.00 0.41 C ATOM 1279 O SER A 82 -15.318 -7.609 2.507 1.00 0.48 O ATOM 1280 CB SER A 82 -17.875 -5.920 1.021 1.00 0.41 C ATOM 1281 OG SER A 82 -19.247 -5.556 1.031 1.00 0.43 O ATOM 0 H SER A 82 -18.364 -4.796 3.124 1.00 0.39 H new ATOM 0 HA SER A 82 -17.845 -7.534 2.438 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.264 -5.044 0.804 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.692 -6.642 0.225 1.00 0.41 H new ATOM 0 HG SER A 82 -19.718 -6.037 0.319 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.361 -5.360 2.537 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.935 -5.193 2.760 1.00 0.37 C ATOM 1289 C PHE A 83 -13.559 -5.710 4.147 1.00 0.38 C ATOM 1290 O PHE A 83 -12.393 -5.930 4.445 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.554 -3.715 2.582 1.00 0.36 C ATOM 1292 CG PHE A 83 -12.090 -3.417 2.766 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -11.160 -3.863 1.842 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.649 -2.683 3.856 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.817 -3.584 2.000 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.305 -2.403 4.020 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.389 -2.854 3.090 1.00 1.18 C ATOM 0 H PHE A 83 -15.870 -4.481 2.439 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.376 -5.776 2.028 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.854 -3.394 1.584 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -14.125 -3.118 3.294 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.489 -4.436 0.988 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.362 -2.326 4.584 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -9.102 -3.937 1.271 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.972 -1.832 4.874 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.339 -2.636 3.216 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.556 -5.890 4.997 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.337 -6.453 6.318 1.00 0.48 C ATOM 1309 C GLU A 84 -13.813 -7.868 6.205 1.00 0.52 C ATOM 1310 O GLU A 84 -12.822 -8.225 6.830 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.629 -6.481 7.115 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.435 -6.993 8.521 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.640 -6.760 9.407 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.536 -7.624 9.441 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.700 -5.702 10.068 1.00 0.80 O ATOM 0 H GLU A 84 -15.527 -5.654 4.795 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.608 -5.824 6.829 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -16.049 -5.476 7.153 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.355 -7.111 6.600 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -15.218 -8.061 8.486 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.566 -6.505 8.963 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.510 -8.655 5.403 1.00 0.57 N ATOM 1323 CA GLN A 85 -14.166 -10.054 5.140 1.00 0.65 C ATOM 1324 C GLN A 85 -12.686 -10.219 4.895 1.00 0.64 C ATOM 1325 O GLN A 85 -12.024 -11.109 5.434 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.907 -10.529 3.893 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.387 -10.259 3.928 1.00 0.79 C ATOM 1328 CD GLN A 85 -17.118 -10.824 2.722 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.563 -10.917 1.627 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.366 -11.220 2.916 1.00 1.62 N ATOM 0 H GLN A 85 -15.344 -8.342 4.906 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.451 -10.639 6.015 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.478 -10.040 3.018 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.745 -11.600 3.771 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.809 -10.689 4.837 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.554 -9.183 3.977 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.793 -11.127 3.838 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.901 -11.618 2.144 1.00 1.62 H new ATOM 1339 N VAL A 86 -12.193 -9.327 4.085 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.856 -9.394 3.578 1.00 0.62 C ATOM 1341 C VAL A 86 -9.874 -8.660 4.478 1.00 0.55 C ATOM 1342 O VAL A 86 -8.770 -9.122 4.714 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.843 -8.830 2.174 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -11.574 -7.526 2.170 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -9.429 -8.722 1.640 1.00 1.30 C ATOM 0 H VAL A 86 -12.720 -8.519 3.753 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.533 -10.435 3.557 1.00 0.62 H new ATOM 0 HB VAL A 86 -11.360 -9.507 1.494 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -11.571 -7.110 1.162 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -12.603 -7.685 2.494 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -11.082 -6.831 2.851 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -9.452 -8.314 0.630 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -8.846 -8.064 2.284 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -8.971 -9.711 1.621 1.00 1.30 H new ATOM 1355 N VAL A 87 -10.284 -7.527 5.008 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.424 -6.804 5.938 1.00 0.51 C ATOM 1357 C VAL A 87 -9.228 -7.647 7.193 1.00 0.56 C ATOM 1358 O VAL A 87 -8.245 -7.514 7.917 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.986 -5.414 6.312 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -11.139 -5.510 7.303 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.878 -4.541 6.862 1.00 0.85 C ATOM 0 H VAL A 87 -11.186 -7.089 4.820 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.469 -6.631 5.443 1.00 0.51 H new ATOM 0 HB VAL A 87 -10.384 -4.960 5.404 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.502 -4.509 7.537 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.947 -6.096 6.865 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.794 -5.993 8.217 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -9.281 -3.563 7.123 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.454 -5.008 7.751 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -8.100 -4.423 6.108 1.00 0.85 H new ATOM 1371 N ASN A 88 -10.184 -8.535 7.407 1.00 0.61 N ATOM 1372 CA ASN A 88 -10.144 -9.493 8.495 1.00 0.71 C ATOM 1373 C ASN A 88 -9.082 -10.552 8.260 1.00 0.78 C ATOM 1374 O ASN A 88 -8.298 -10.856 9.157 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.509 -10.146 8.655 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.236 -9.642 9.882 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.120 -10.212 10.967 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.982 -8.564 9.721 1.00 0.73 N ATOM 0 H ASN A 88 -11.017 -8.611 6.824 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.886 -8.960 9.410 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -12.112 -9.948 7.769 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.388 -11.227 8.723 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.490 -8.172 10.514 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -13.050 -8.123 8.804 1.00 0.73 H new ATOM 1385 N GLU A 89 -9.031 -11.100 7.051 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.056 -12.132 6.749 1.00 0.84 C ATOM 1387 C GLU A 89 -6.686 -11.509 6.737 1.00 0.82 C ATOM 1388 O GLU A 89 -5.706 -12.084 7.217 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.362 -12.827 5.402 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.544 -11.915 4.197 1.00 1.25 C ATOM 1391 CD GLU A 89 -7.267 -11.514 3.492 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -6.194 -11.731 4.076 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -7.328 -10.969 2.376 1.00 2.87 O ATOM 0 H GLU A 89 -9.645 -10.849 6.276 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.103 -12.905 7.516 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.552 -13.523 5.185 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.268 -13.420 5.522 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.195 -12.414 3.479 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.060 -11.011 4.521 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.662 -10.290 6.246 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.443 -9.612 5.926 1.00 0.64 C ATOM 1402 C LEU A 90 -4.652 -9.242 7.183 1.00 0.70 C ATOM 1403 O LEU A 90 -3.450 -9.007 7.118 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.807 -8.372 5.131 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.003 -8.093 3.862 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.529 -9.349 3.164 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.876 -7.312 2.916 1.00 1.28 C ATOM 0 H LEU A 90 -7.502 -9.743 6.059 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.798 -10.268 5.342 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.859 -8.445 4.855 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.709 -7.509 5.789 1.00 0.56 H new ATOM 0 HG LEU A 90 -4.112 -7.538 4.153 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.965 -9.078 2.271 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.890 -9.920 3.837 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.390 -9.954 2.880 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.323 -7.100 2.001 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.765 -7.895 2.676 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.173 -6.374 3.385 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.324 -9.197 8.331 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.665 -8.757 9.557 1.00 0.82 C ATOM 1421 C PHE A 91 -4.481 -9.910 10.540 1.00 0.91 C ATOM 1422 O PHE A 91 -3.755 -9.794 11.529 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.438 -7.602 10.208 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.474 -8.011 11.222 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.707 -8.495 10.811 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -6.215 -7.926 12.578 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.657 -8.883 11.735 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -7.162 -8.311 13.505 1.00 1.75 C ATOM 1429 CZ PHE A 91 -8.386 -8.745 13.099 1.00 2.23 C ATOM 0 H PHE A 91 -6.305 -9.454 8.438 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.673 -8.395 9.286 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.724 -6.936 10.691 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.929 -7.027 9.423 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.927 -8.569 9.756 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -5.259 -7.553 12.916 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.602 -9.290 11.406 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -6.930 -8.268 14.559 1.00 1.75 H new ATOM 0 HZ PHE A 91 -9.146 -8.982 13.829 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.139 -11.018 10.271 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.052 -12.173 11.153 1.00 1.11 C ATOM 1441 C ARG A 92 -4.047 -13.188 10.625 1.00 0.83 C ATOM 1442 O ARG A 92 -3.333 -13.839 11.387 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.424 -12.823 11.263 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.809 -13.590 10.015 1.00 1.62 C ATOM 1445 CD ARG A 92 -8.300 -13.723 9.865 1.00 2.21 C ATOM 1446 NE ARG A 92 -8.870 -14.727 10.762 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.155 -15.089 10.759 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -10.994 -14.584 9.861 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -10.597 -15.977 11.639 1.00 5.06 N ATOM 0 H ARG A 92 -5.737 -11.148 9.455 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.716 -11.838 12.134 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.434 -13.499 12.118 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.172 -12.054 11.457 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.402 -13.084 9.140 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.359 -14.582 10.048 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.768 -12.759 10.061 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.535 -13.987 8.834 1.00 2.21 H new ATOM 0 HE ARG A 92 -8.247 -15.179 11.432 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.658 -13.915 9.168 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -11.975 -14.865 9.864 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -9.955 -16.384 12.319 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -11.579 -16.253 11.636 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.994 -13.299 9.310 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.303 -14.395 8.651 1.00 1.10 C ATOM 1465 C ASP A 93 -1.804 -14.150 8.524 1.00 1.31 C ATOM 1466 O ASP A 93 -1.092 -14.961 7.933 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.920 -14.618 7.266 1.00 1.65 C ATOM 1468 CG ASP A 93 -3.610 -15.981 6.685 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -4.367 -16.932 6.970 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -2.628 -16.103 5.925 1.00 3.12 O ATOM 0 H ASP A 93 -4.427 -12.634 8.669 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.425 -15.285 9.268 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -5.001 -14.497 7.334 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.555 -13.849 6.585 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.291 -13.068 9.092 1.00 1.11 N ATOM 1476 CA GLY A 94 0.121 -12.821 8.919 1.00 1.69 C ATOM 1477 C GLY A 94 0.469 -11.413 8.484 1.00 1.62 C ATOM 1478 O GLY A 94 0.916 -11.211 7.351 1.00 2.31 O ATOM 0 H GLY A 94 -1.804 -12.383 9.647 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.631 -13.033 9.859 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.511 -13.522 8.180 1.00 1.69 H new ATOM 1482 N VAL A 95 0.248 -10.428 9.348 1.00 0.85 N ATOM 1483 CA VAL A 95 0.588 -9.053 9.004 1.00 0.67 C ATOM 1484 C VAL A 95 2.091 -8.837 9.015 1.00 0.62 C ATOM 1485 O VAL A 95 2.713 -8.633 10.055 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.043 -8.015 9.948 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.352 -6.613 9.510 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.548 -8.156 9.985 1.00 1.06 C ATOM 0 H VAL A 95 -0.158 -10.552 10.276 1.00 0.85 H new ATOM 0 HA VAL A 95 0.183 -8.905 8.003 1.00 0.67 H new ATOM 0 HB VAL A 95 0.331 -8.192 10.956 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -0.097 -5.882 10.182 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.437 -6.515 9.540 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.000 -6.437 8.494 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.967 -7.410 10.660 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.952 -8.007 8.984 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.811 -9.153 10.338 1.00 1.06 H new ATOM 1498 N ASN A 96 2.662 -8.943 7.841 1.00 0.76 N ATOM 1499 CA ASN A 96 4.060 -8.640 7.627 1.00 0.86 C ATOM 1500 C ASN A 96 4.166 -7.413 6.742 1.00 0.72 C ATOM 1501 O ASN A 96 3.155 -6.771 6.446 1.00 0.62 O ATOM 1502 CB ASN A 96 4.772 -9.834 6.990 1.00 1.17 C ATOM 1503 CG ASN A 96 4.696 -11.069 7.867 1.00 1.47 C ATOM 1504 OD1 ASN A 96 5.602 -11.349 8.652 1.00 2.12 O ATOM 1505 ND2 ASN A 96 3.602 -11.804 7.752 1.00 1.67 N ATOM 0 H ASN A 96 2.169 -9.244 7.000 1.00 0.76 H new ATOM 0 HA ASN A 96 4.543 -8.437 8.583 1.00 0.86 H new ATOM 0 HB2 ASN A 96 4.324 -10.049 6.020 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.817 -9.580 6.809 1.00 1.17 H new ATOM 0 HD21 ASN A 96 3.486 -12.639 8.327 1.00 1.67 H new ATOM 0 HD22 ASN A 96 2.875 -11.536 7.089 1.00 1.67 H new ATOM 1512 N TRP A 97 5.375 -7.113 6.301 1.00 0.77 N ATOM 1513 CA TRP A 97 5.631 -5.956 5.449 1.00 0.72 C ATOM 1514 C TRP A 97 4.723 -5.960 4.216 1.00 0.63 C ATOM 1515 O TRP A 97 3.996 -5.000 3.965 1.00 0.59 O ATOM 1516 CB TRP A 97 7.099 -5.950 5.013 1.00 0.86 C ATOM 1517 CG TRP A 97 8.061 -6.003 6.162 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.600 -4.943 6.828 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.599 -7.178 6.779 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.438 -5.383 7.823 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.455 -6.752 7.813 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.440 -8.548 6.557 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.147 -7.648 8.622 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.127 -9.435 7.362 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.971 -8.982 8.383 1.00 3.34 C ATOM 0 H TRP A 97 6.207 -7.660 6.520 1.00 0.77 H new ATOM 0 HA TRP A 97 5.415 -5.056 6.025 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.279 -6.802 4.358 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.293 -5.051 4.427 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.397 -3.906 6.605 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.962 -4.788 8.464 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.792 -8.907 5.771 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.799 -7.302 9.410 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.011 -10.497 7.201 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.494 -9.702 8.995 1.00 3.34 H new ATOM 1536 N GLY A 98 4.747 -7.061 3.474 1.00 0.69 N ATOM 1537 CA GLY A 98 4.005 -7.142 2.227 1.00 0.69 C ATOM 1538 C GLY A 98 2.513 -7.364 2.415 1.00 0.62 C ATOM 1539 O GLY A 98 1.728 -7.146 1.492 1.00 0.61 O ATOM 0 H GLY A 98 5.269 -7.904 3.714 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.158 -6.222 1.663 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.411 -7.955 1.625 1.00 0.69 H new ATOM 1543 N ARG A 99 2.116 -7.789 3.605 1.00 0.65 N ATOM 1544 CA ARG A 99 0.710 -8.063 3.890 1.00 0.67 C ATOM 1545 C ARG A 99 -0.100 -6.770 3.871 1.00 0.53 C ATOM 1546 O ARG A 99 -1.195 -6.715 3.313 1.00 0.55 O ATOM 1547 CB ARG A 99 0.574 -8.749 5.247 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.862 -9.015 5.663 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.537 -10.047 4.773 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.032 -11.401 5.001 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.790 -12.495 4.922 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -3.085 -12.391 4.637 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -1.257 -13.691 5.140 1.00 4.24 N ATOM 0 H ARG A 99 2.745 -7.953 4.391 1.00 0.65 H new ATOM 0 HA ARG A 99 0.321 -8.727 3.118 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.115 -9.695 5.220 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.052 -8.129 6.005 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.881 -9.361 6.696 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -1.427 -8.083 5.629 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.612 -10.029 4.952 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.384 -9.777 3.728 1.00 1.50 H new ATOM 0 HE ARG A 99 -0.045 -11.514 5.233 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.500 -11.473 4.478 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.663 -13.229 4.577 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -0.266 -13.774 5.368 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -1.838 -14.527 5.079 1.00 4.24 H new ATOM 1567 N ILE A 100 0.455 -5.728 4.472 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.206 -4.433 4.520 1.00 0.36 C ATOM 1569 C ILE A 100 -0.233 -3.795 3.133 1.00 0.33 C ATOM 1570 O ILE A 100 -1.163 -3.068 2.781 1.00 0.34 O ATOM 1571 CB ILE A 100 0.492 -3.506 5.529 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.379 -4.106 6.932 1.00 0.33 C ATOM 1573 CG2 ILE A 100 -0.115 -2.115 5.485 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.119 -3.331 7.994 1.00 0.34 C ATOM 0 H ILE A 100 1.364 -5.755 4.934 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.234 -4.584 4.849 1.00 0.36 H new ATOM 0 HB ILE A 100 1.546 -3.416 5.266 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.674 -4.164 7.207 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.760 -5.127 6.911 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.392 -1.474 6.206 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.001 -1.699 4.484 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -1.175 -2.172 5.733 1.00 0.34 H new ATOM 0 HD11 ILE A 100 0.989 -3.821 8.959 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.180 -3.295 7.745 1.00 0.34 H new ATOM 0 HD13 ILE A 100 0.724 -2.317 8.046 1.00 0.34 H new ATOM 1586 N VAL A 101 0.797 -4.088 2.354 1.00 0.33 N ATOM 1587 CA VAL A 101 0.853 -3.698 0.948 1.00 0.35 C ATOM 1588 C VAL A 101 -0.401 -4.167 0.217 1.00 0.37 C ATOM 1589 O VAL A 101 -1.069 -3.393 -0.472 1.00 0.45 O ATOM 1590 CB VAL A 101 2.089 -4.311 0.269 1.00 0.46 C ATOM 1591 CG1 VAL A 101 2.184 -3.900 -1.188 1.00 1.35 C ATOM 1592 CG2 VAL A 101 3.339 -3.924 1.026 1.00 1.32 C ATOM 0 H VAL A 101 1.618 -4.602 2.675 1.00 0.33 H new ATOM 0 HA VAL A 101 0.916 -2.611 0.901 1.00 0.35 H new ATOM 0 HB VAL A 101 1.989 -5.396 0.290 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.069 -4.351 -1.636 1.00 1.35 H new ATOM 0 HG12 VAL A 101 1.295 -4.238 -1.720 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.256 -2.815 -1.256 1.00 1.35 H new ATOM 0 HG21 VAL A 101 4.210 -4.362 0.539 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.437 -2.838 1.036 1.00 1.32 H new ATOM 0 HG23 VAL A 101 3.273 -4.292 2.050 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.703 -5.442 0.362 1.00 0.37 N ATOM 1603 CA ALA A 102 -1.932 -6.005 -0.191 1.00 0.39 C ATOM 1604 C ALA A 102 -3.152 -5.239 0.308 1.00 0.35 C ATOM 1605 O ALA A 102 -4.021 -4.846 -0.472 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.053 -7.471 0.181 1.00 0.44 C ATOM 0 H ALA A 102 -0.117 -6.114 0.858 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.888 -5.916 -1.276 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -2.974 -7.878 -0.238 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.200 -8.019 -0.218 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.073 -7.571 1.266 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.185 -5.014 1.615 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.293 -4.329 2.268 1.00 0.34 C ATOM 1614 C PHE A 103 -4.538 -2.934 1.688 1.00 0.31 C ATOM 1615 O PHE A 103 -5.669 -2.603 1.328 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.033 -4.262 3.779 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.787 -3.169 4.491 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.137 -3.317 4.773 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.151 -2.004 4.883 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.836 -2.325 5.433 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -4.848 -1.007 5.543 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.166 -1.136 5.792 1.00 1.49 C ATOM 0 H PHE A 103 -2.443 -5.302 2.253 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.202 -4.902 2.082 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.300 -5.220 4.224 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.965 -4.119 3.946 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.648 -4.220 4.473 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.100 -1.872 4.672 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.881 -2.458 5.671 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.329 -0.115 5.862 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.709 -0.331 6.265 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.491 -2.116 1.586 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.664 -0.742 1.123 1.00 0.40 C ATOM 1634 C PHE A 104 -4.093 -0.724 -0.345 1.00 0.39 C ATOM 1635 O PHE A 104 -4.902 0.108 -0.756 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.385 0.100 1.344 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.380 0.050 0.223 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -1.569 0.784 -0.938 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -0.249 -0.732 0.330 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -0.652 0.732 -1.965 1.00 2.90 C ATOM 1641 CE2 PHE A 104 0.673 -0.787 -0.697 1.00 2.61 C ATOM 1642 CZ PHE A 104 0.470 -0.055 -1.845 1.00 3.29 C ATOM 0 H PHE A 104 -2.531 -2.375 1.813 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.455 -0.284 1.718 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -2.676 1.138 1.503 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -1.900 -0.239 2.260 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -2.447 1.405 -1.039 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.082 -1.308 1.228 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -0.814 1.309 -2.864 1.00 2.90 H new ATOM 0 HE2 PHE A 104 1.554 -1.405 -0.599 1.00 2.61 H new ATOM 0 HZ PHE A 104 1.190 -0.098 -2.649 1.00 3.29 H new ATOM 1652 N SER A 105 -3.561 -1.661 -1.125 1.00 0.37 N ATOM 1653 CA SER A 105 -3.866 -1.732 -2.545 1.00 0.44 C ATOM 1654 C SER A 105 -5.318 -2.139 -2.759 1.00 0.40 C ATOM 1655 O SER A 105 -6.010 -1.589 -3.616 1.00 0.45 O ATOM 1656 CB SER A 105 -2.928 -2.723 -3.234 1.00 0.50 C ATOM 1657 OG SER A 105 -1.573 -2.357 -3.036 1.00 1.19 O ATOM 0 H SER A 105 -2.917 -2.380 -0.795 1.00 0.37 H new ATOM 0 HA SER A 105 -3.718 -0.745 -2.984 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.099 -3.725 -2.842 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.148 -2.757 -4.301 1.00 0.50 H new ATOM 0 HG SER A 105 -1.275 -2.669 -2.156 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.778 -3.085 -1.954 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.143 -3.569 -2.050 1.00 0.37 C ATOM 1665 C PHE A 106 -8.113 -2.519 -1.544 1.00 0.31 C ATOM 1666 O PHE A 106 -9.219 -2.395 -2.047 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.303 -4.847 -1.247 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.470 -5.686 -1.693 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.420 -6.380 -2.892 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.618 -5.768 -0.923 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.494 -7.143 -3.310 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -10.695 -6.527 -1.338 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.633 -7.216 -2.534 1.00 2.89 C ATOM 0 H PHE A 106 -5.222 -3.533 -1.225 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.363 -3.776 -3.097 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.389 -5.436 -1.327 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.427 -4.594 -0.194 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.533 -6.324 -3.506 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.672 -5.232 0.013 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.442 -7.682 -4.244 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.585 -6.582 -0.728 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.474 -7.810 -2.861 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.693 -1.770 -0.539 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.493 -0.664 -0.069 1.00 0.28 C ATOM 1685 C GLY A 107 -8.666 0.375 -1.153 1.00 0.24 C ATOM 1686 O GLY A 107 -9.759 0.908 -1.354 1.00 0.27 O ATOM 0 H GLY A 107 -6.813 -1.908 -0.041 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.470 -1.027 0.252 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.019 -0.211 0.802 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.580 0.645 -1.865 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.642 1.539 -2.998 1.00 0.22 C ATOM 1692 C GLY A 108 -8.500 0.972 -4.113 1.00 0.22 C ATOM 1693 O GLY A 108 -9.098 1.712 -4.894 1.00 0.23 O ATOM 0 H GLY A 108 -6.656 0.258 -1.675 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -8.046 2.501 -2.681 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.635 1.724 -3.372 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.561 -0.349 -4.184 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.400 -1.025 -5.158 1.00 0.26 C ATOM 1699 C ALA A 109 -10.856 -1.012 -4.713 1.00 0.27 C ATOM 1700 O ALA A 109 -11.756 -0.885 -5.541 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.928 -2.450 -5.373 1.00 0.29 C ATOM 0 H ALA A 109 -8.036 -0.976 -3.574 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.322 -0.489 -6.104 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.570 -2.939 -6.106 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.901 -2.442 -5.738 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.974 -2.995 -4.430 1.00 0.29 H new ATOM 1707 N LEU A 110 -11.069 -1.113 -3.401 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.411 -1.081 -2.817 1.00 0.28 C ATOM 1709 C LEU A 110 -13.048 0.239 -3.188 1.00 0.24 C ATOM 1710 O LEU A 110 -14.243 0.335 -3.490 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.322 -1.205 -1.294 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.457 -1.982 -0.609 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.806 -1.315 -0.815 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.492 -3.420 -1.103 1.00 1.12 C ATOM 0 H LEU A 110 -10.321 -1.219 -2.716 1.00 0.25 H new ATOM 0 HA LEU A 110 -13.008 -1.911 -3.195 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.377 -1.688 -1.044 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.289 -0.201 -0.870 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.253 -1.981 0.462 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.580 -1.897 -0.314 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.782 -0.308 -0.397 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -15.026 -1.260 -1.881 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -14.302 -3.955 -0.607 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.656 -3.431 -2.181 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.543 -3.906 -0.876 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.205 1.256 -3.156 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.537 2.573 -3.637 1.00 0.19 C ATOM 1728 C CYS A 111 -13.148 2.476 -5.020 1.00 0.20 C ATOM 1729 O CYS A 111 -14.324 2.780 -5.202 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.263 3.406 -3.662 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.420 5.018 -4.438 1.00 0.22 S ATOM 0 H CYS A 111 -11.257 1.182 -2.788 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.268 3.047 -2.982 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.919 3.546 -2.637 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.490 2.843 -4.184 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.384 5.745 -4.142 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.364 1.988 -5.975 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.814 1.898 -7.357 1.00 0.22 C ATOM 1739 C VAL A 112 -14.015 0.973 -7.498 1.00 0.22 C ATOM 1740 O VAL A 112 -14.887 1.225 -8.319 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.719 1.401 -8.309 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -12.250 1.443 -9.728 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.456 2.234 -8.186 1.00 0.27 C ATOM 0 H VAL A 112 -11.415 1.649 -5.817 1.00 0.20 H new ATOM 0 HA VAL A 112 -13.088 2.916 -7.633 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.455 0.378 -8.043 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.480 1.092 -10.415 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -13.127 0.801 -9.807 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.525 2.466 -9.984 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.701 1.854 -8.875 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.680 3.273 -8.430 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -10.079 2.174 -7.165 1.00 0.27 H new ATOM 1753 N GLU A 113 -14.074 -0.089 -6.700 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.210 -1.004 -6.745 1.00 0.28 C ATOM 1755 C GLU A 113 -16.507 -0.248 -6.490 1.00 0.23 C ATOM 1756 O GLU A 113 -17.580 -0.657 -6.938 1.00 0.29 O ATOM 1757 CB GLU A 113 -15.045 -2.146 -5.731 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.959 -3.147 -6.102 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.614 -4.101 -4.979 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.324 -5.116 -4.829 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.626 -3.844 -4.265 1.00 2.51 O ATOM 0 H GLU A 113 -13.355 -0.336 -6.020 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.250 -1.445 -7.741 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.816 -1.721 -4.754 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.994 -2.673 -5.634 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.285 -3.721 -6.969 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.061 -2.605 -6.398 1.00 0.53 H new ATOM 1768 N SER A 114 -16.391 0.891 -5.823 1.00 0.18 N ATOM 1769 CA SER A 114 -17.532 1.712 -5.508 1.00 0.19 C ATOM 1770 C SER A 114 -17.805 2.621 -6.680 1.00 0.22 C ATOM 1771 O SER A 114 -18.934 2.758 -7.137 1.00 0.28 O ATOM 1772 CB SER A 114 -17.241 2.529 -4.253 1.00 0.18 C ATOM 1773 OG SER A 114 -16.976 1.676 -3.151 1.00 0.20 O ATOM 0 H SER A 114 -15.502 1.264 -5.489 1.00 0.18 H new ATOM 0 HA SER A 114 -18.408 1.091 -5.319 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.386 3.182 -4.428 1.00 0.18 H new ATOM 0 HB3 SER A 114 -18.092 3.172 -4.026 1.00 0.18 H new ATOM 0 HG SER A 114 -16.094 1.263 -3.262 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.737 3.179 -7.210 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.824 4.136 -8.279 1.00 0.27 C ATOM 1781 C VAL A 115 -17.291 3.447 -9.549 1.00 0.28 C ATOM 1782 O VAL A 115 -17.933 4.041 -10.414 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.475 4.834 -8.495 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.511 4.561 -7.395 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.893 4.551 -9.844 1.00 1.10 C ATOM 0 H VAL A 115 -15.784 2.977 -6.907 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.552 4.901 -8.010 1.00 0.27 H new ATOM 0 HB VAL A 115 -15.679 5.904 -8.467 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.573 5.078 -7.597 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -14.925 4.916 -6.451 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -14.327 3.489 -7.330 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.939 5.069 -9.945 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.737 3.478 -9.955 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -15.578 4.900 -10.616 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.942 2.183 -9.609 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.353 1.265 -10.657 1.00 0.34 C ATOM 1797 C ASP A 116 -18.861 1.311 -10.862 1.00 0.35 C ATOM 1798 O ASP A 116 -19.349 1.454 -11.981 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.936 -0.142 -10.241 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.091 -1.159 -11.351 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.149 -1.299 -12.160 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -18.142 -1.834 -11.417 1.00 0.60 O ATOM 0 H ASP A 116 -16.344 1.746 -8.908 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.879 1.549 -11.596 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.896 -0.125 -9.914 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.534 -0.454 -9.385 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.592 1.195 -9.761 1.00 0.32 N ATOM 1808 CA LYS A 117 -21.048 1.221 -9.792 1.00 0.35 C ATOM 1809 C LYS A 117 -21.547 2.663 -9.718 1.00 0.34 C ATOM 1810 O LYS A 117 -22.740 2.912 -9.522 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.611 0.420 -8.613 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.706 -0.707 -8.123 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.357 -1.682 -9.228 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.581 -2.874 -8.701 1.00 0.61 C ATOM 1815 NZ LYS A 117 -19.205 -3.809 -9.794 1.00 1.62 N ATOM 0 H LYS A 117 -19.196 1.081 -8.828 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.388 0.772 -10.725 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.801 1.102 -7.785 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.572 -0.004 -8.904 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.790 -0.282 -7.713 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -21.201 -1.241 -7.312 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.271 -2.028 -9.710 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.768 -1.172 -9.990 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.681 -2.527 -8.193 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -20.182 -3.402 -7.961 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.462 -4.454 -9.458 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.039 -4.361 -10.081 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.851 -3.267 -10.608 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.612 3.597 -9.876 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.876 5.027 -9.751 1.00 0.33 C ATOM 1831 C GLU A 118 -21.299 5.358 -8.332 1.00 0.31 C ATOM 1832 O GLU A 118 -22.331 5.979 -8.085 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.907 5.500 -10.772 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.435 5.324 -12.203 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.344 6.003 -13.197 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.428 5.452 -13.490 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -21.982 7.095 -13.688 1.00 1.07 O ATOM 0 H GLU A 118 -19.640 3.379 -10.097 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.953 5.566 -9.966 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.835 4.946 -10.629 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.133 6.552 -10.595 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.427 5.727 -12.302 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.377 4.261 -12.435 1.00 0.49 H new ATOM 1844 N MET A 119 -20.466 4.921 -7.406 1.00 0.26 N ATOM 1845 CA MET A 119 -20.670 5.145 -5.984 1.00 0.26 C ATOM 1846 C MET A 119 -19.379 5.703 -5.420 1.00 0.25 C ATOM 1847 O MET A 119 -18.968 5.377 -4.311 1.00 0.23 O ATOM 1848 CB MET A 119 -21.021 3.837 -5.267 1.00 0.25 C ATOM 1849 CG MET A 119 -22.205 3.093 -5.860 1.00 0.28 C ATOM 1850 SD MET A 119 -22.482 1.501 -5.059 1.00 0.31 S ATOM 1851 CE MET A 119 -20.831 0.806 -5.133 1.00 0.29 C ATOM 0 H MET A 119 -19.619 4.395 -7.621 1.00 0.26 H new ATOM 0 HA MET A 119 -21.498 5.838 -5.834 1.00 0.26 H new ATOM 0 HB2 MET A 119 -20.150 3.182 -5.286 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.233 4.056 -4.220 1.00 0.25 H new ATOM 0 HG2 MET A 119 -23.101 3.706 -5.765 1.00 0.28 H new ATOM 0 HG3 MET A 119 -22.037 2.937 -6.926 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.895 -0.282 -5.159 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.326 1.162 -6.031 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.266 1.115 -4.253 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.737 6.535 -6.228 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.466 7.155 -5.900 1.00 0.31 C ATOM 1863 C GLN A 120 -17.485 7.907 -4.552 1.00 0.32 C ATOM 1864 O GLN A 120 -16.453 8.369 -4.086 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.084 8.102 -7.024 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.277 7.488 -8.392 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.573 7.884 -9.061 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.569 8.178 -8.406 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -18.569 7.857 -10.375 1.00 0.55 N ATOM 0 H GLN A 120 -19.093 6.801 -7.146 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.727 6.361 -5.792 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.683 9.009 -6.949 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.042 8.398 -6.906 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.444 7.780 -9.032 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.243 6.402 -8.301 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -17.717 7.607 -10.877 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.418 8.086 -10.892 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.652 8.048 -3.936 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.747 8.663 -2.611 1.00 0.35 C ATOM 1880 C VAL A 121 -18.083 7.802 -1.529 1.00 0.31 C ATOM 1881 O VAL A 121 -17.731 8.302 -0.462 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.207 8.928 -2.202 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.827 9.999 -3.083 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -21.014 7.642 -2.264 1.00 0.38 C ATOM 0 H VAL A 121 -19.544 7.747 -4.328 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.218 9.613 -2.688 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.218 9.291 -1.174 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.859 10.170 -2.776 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.261 10.925 -2.983 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.807 9.672 -4.122 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.044 7.845 -1.972 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.995 7.249 -3.281 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.582 6.908 -1.584 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.911 6.509 -1.809 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.247 5.598 -0.872 1.00 0.21 C ATOM 1896 C LEU A 122 -15.757 5.838 -0.884 1.00 0.19 C ATOM 1897 O LEU A 122 -15.063 5.559 0.090 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.510 4.129 -1.217 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.885 3.584 -0.841 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.209 3.932 0.600 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.951 4.104 -1.789 1.00 0.22 C ATOM 0 H LEU A 122 -18.221 6.069 -2.675 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.658 5.800 0.117 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.372 3.999 -2.290 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.753 3.520 -0.722 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.868 2.498 -0.933 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.192 3.538 0.857 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.459 3.493 1.258 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.209 5.015 0.722 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.922 3.702 -1.501 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.981 5.193 -1.741 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.717 3.792 -2.807 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.294 6.364 -2.002 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.883 6.628 -2.238 1.00 0.20 C ATOM 1915 C VAL A 123 -13.210 7.303 -1.043 1.00 0.22 C ATOM 1916 O VAL A 123 -12.184 6.829 -0.550 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.748 7.494 -3.502 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.352 8.076 -3.652 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.133 6.658 -4.718 1.00 0.23 C ATOM 0 H VAL A 123 -15.894 6.624 -2.784 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.372 5.676 -2.379 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.424 8.345 -3.415 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.305 8.680 -4.558 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.123 8.700 -2.788 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.625 7.266 -3.717 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.041 7.263 -5.620 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.471 5.795 -4.791 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.163 6.317 -4.614 1.00 0.23 H new ATOM 1929 N SER A 124 -13.792 8.388 -0.563 1.00 0.24 N ATOM 1930 CA SER A 124 -13.207 9.119 0.550 1.00 0.28 C ATOM 1931 C SER A 124 -13.433 8.373 1.868 1.00 0.27 C ATOM 1932 O SER A 124 -12.578 8.383 2.755 1.00 0.33 O ATOM 1933 CB SER A 124 -13.803 10.523 0.631 1.00 0.36 C ATOM 1934 OG SER A 124 -13.002 11.374 1.437 1.00 1.35 O ATOM 0 H SER A 124 -14.662 8.781 -0.922 1.00 0.24 H new ATOM 0 HA SER A 124 -12.133 9.200 0.380 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.890 10.943 -0.371 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.811 10.470 1.043 1.00 0.36 H new ATOM 0 HG SER A 124 -13.399 11.447 2.330 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.577 7.705 1.976 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.952 7.008 3.202 1.00 0.23 C ATOM 1942 C ARG A 125 -13.978 5.875 3.493 1.00 0.21 C ATOM 1943 O ARG A 125 -13.448 5.765 4.597 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.362 6.435 3.077 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.382 7.426 2.554 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.775 6.848 2.592 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.774 7.781 2.084 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.073 7.692 2.355 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.520 6.743 3.167 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -21.915 8.565 1.825 1.00 2.67 N ATOM 0 H ARG A 125 -15.264 7.631 1.225 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.922 7.727 4.021 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.335 5.571 2.413 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.686 6.076 4.054 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.347 8.337 3.152 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.130 7.706 1.531 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.802 5.932 2.001 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -19.025 6.574 3.617 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.459 8.545 1.487 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.867 6.080 3.585 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.517 6.676 3.374 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.567 9.302 1.212 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -22.912 8.501 2.030 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.761 5.037 2.492 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.835 3.915 2.600 1.00 0.19 C ATOM 1966 C ILE A 126 -11.457 4.381 3.053 1.00 0.20 C ATOM 1967 O ILE A 126 -10.897 3.833 4.001 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.719 3.185 1.251 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.116 2.730 0.816 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.768 2.002 1.361 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.189 2.186 -0.587 1.00 0.18 C ATOM 0 H ILE A 126 -14.219 5.113 1.584 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.230 3.228 3.348 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.310 3.862 0.500 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.466 1.964 1.508 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.801 3.573 0.901 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.700 1.499 0.396 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.780 2.356 1.657 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.142 1.303 2.109 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.214 1.889 -0.809 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.873 2.955 -1.292 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.533 1.320 -0.676 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.928 5.402 2.386 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.613 5.945 2.715 1.00 0.24 C ATOM 1985 C ALA A 127 -9.515 6.320 4.195 1.00 0.24 C ATOM 1986 O ALA A 127 -8.468 6.150 4.823 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.310 7.153 1.842 1.00 0.27 C ATOM 0 H ALA A 127 -11.393 5.873 1.610 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.873 5.169 2.520 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.327 7.549 2.097 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.321 6.856 0.793 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.065 7.921 2.009 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.616 6.818 4.744 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.692 7.155 6.161 1.00 0.22 C ATOM 1995 C ALA A 128 -10.475 5.922 7.017 1.00 0.23 C ATOM 1996 O ALA A 128 -9.569 5.867 7.851 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.051 7.750 6.487 1.00 0.23 C ATOM 0 H ALA A 128 -11.475 6.999 4.225 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.911 7.884 6.376 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.095 7.997 7.548 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.203 8.654 5.897 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.831 7.026 6.250 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.312 4.930 6.781 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.300 3.711 7.561 1.00 0.35 C ATOM 2005 C TRP A 129 -9.999 2.937 7.362 1.00 0.25 C ATOM 2006 O TRP A 129 -9.525 2.271 8.277 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.501 2.851 7.182 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.819 3.463 7.553 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.714 4.052 6.711 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.387 3.547 8.864 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.804 4.500 7.416 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.627 4.200 8.741 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -13.968 3.132 10.132 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.451 4.449 9.835 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -14.787 3.379 11.217 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.016 4.031 11.063 1.00 3.91 C ATOM 0 H TRP A 129 -12.017 4.948 6.044 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.365 3.974 8.617 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.483 2.671 6.107 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.411 1.880 7.670 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.585 4.152 5.643 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.613 4.978 7.018 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.022 2.628 10.261 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.399 4.954 9.719 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.473 3.063 12.201 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.634 4.208 11.931 1.00 3.91 H new ATOM 2027 N MET A 130 -9.426 3.037 6.167 1.00 0.24 N ATOM 2028 CA MET A 130 -8.163 2.370 5.858 1.00 0.26 C ATOM 2029 C MET A 130 -7.026 2.924 6.701 1.00 0.25 C ATOM 2030 O MET A 130 -6.322 2.178 7.382 1.00 0.29 O ATOM 2031 CB MET A 130 -7.819 2.539 4.384 1.00 0.31 C ATOM 2032 CG MET A 130 -8.735 1.781 3.450 1.00 0.29 C ATOM 2033 SD MET A 130 -8.374 2.130 1.725 1.00 1.08 S ATOM 2034 CE MET A 130 -6.684 1.558 1.632 1.00 0.31 C ATOM 0 H MET A 130 -9.817 3.575 5.393 1.00 0.24 H new ATOM 0 HA MET A 130 -8.288 1.312 6.087 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.855 3.599 4.132 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.794 2.207 4.220 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.634 0.711 3.632 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.771 2.045 3.664 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.323 1.654 0.608 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.060 2.158 2.295 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.636 0.512 1.937 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.850 4.240 6.650 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.770 4.890 7.377 1.00 0.24 C ATOM 2046 C ALA A 131 -5.911 4.677 8.873 1.00 0.24 C ATOM 2047 O ALA A 131 -4.925 4.425 9.566 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.719 6.372 7.052 1.00 0.25 C ATOM 0 H ALA A 131 -7.441 4.875 6.113 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.832 4.435 7.059 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.904 6.838 7.606 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.553 6.505 5.983 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.663 6.839 7.333 1.00 0.25 H new ATOM 2054 N THR A 132 -7.137 4.766 9.372 1.00 0.26 N ATOM 2055 CA THR A 132 -7.387 4.513 10.779 1.00 0.29 C ATOM 2056 C THR A 132 -7.107 3.052 11.125 1.00 0.30 C ATOM 2057 O THR A 132 -6.496 2.758 12.153 1.00 0.32 O ATOM 2058 CB THR A 132 -8.830 4.860 11.179 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.055 6.267 11.013 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.093 4.461 12.624 1.00 0.40 C ATOM 0 H THR A 132 -7.964 5.009 8.827 1.00 0.26 H new ATOM 0 HA THR A 132 -6.710 5.159 11.339 1.00 0.29 H new ATOM 0 HB THR A 132 -9.514 4.307 10.535 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.281 6.454 10.078 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.119 4.714 12.890 1.00 0.40 H new ATOM 0 HG22 THR A 132 -8.943 3.387 12.738 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.406 4.995 13.280 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.552 2.141 10.264 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.311 0.721 10.474 1.00 0.32 C ATOM 2070 C TYR A 133 -5.815 0.467 10.598 1.00 0.32 C ATOM 2071 O TYR A 133 -5.377 -0.326 11.429 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.893 -0.114 9.330 1.00 0.33 C ATOM 2073 CG TYR A 133 -8.119 -1.561 9.704 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -7.104 -2.503 9.589 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -9.351 -1.978 10.188 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -7.314 -3.822 9.950 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -9.569 -3.292 10.546 1.00 1.93 C ATOM 2078 CZ TYR A 133 -8.548 -4.209 10.428 1.00 2.40 C ATOM 2079 OH TYR A 133 -8.762 -5.515 10.794 1.00 3.13 O ATOM 0 H TYR A 133 -8.079 2.361 9.419 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.809 0.421 11.396 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.839 0.325 9.013 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.218 -0.068 8.475 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -6.138 -2.201 9.213 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.153 -1.261 10.286 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -6.516 -4.544 9.858 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -10.535 -3.600 10.917 1.00 1.93 H new ATOM 0 HH TYR A 133 -7.932 -6.025 10.687 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.034 1.154 9.774 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.589 1.111 9.899 1.00 0.30 C ATOM 2091 C LEU A 134 -3.198 1.649 11.269 1.00 0.32 C ATOM 2092 O LEU A 134 -2.552 0.965 12.051 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.913 1.944 8.796 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.433 1.625 8.539 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.957 2.305 7.272 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.563 2.062 9.703 1.00 0.88 C ATOM 0 H LEU A 134 -5.378 1.744 9.016 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.254 0.079 9.791 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.464 1.800 7.867 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -2.999 2.999 9.057 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.346 0.544 8.427 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.094 2.068 7.105 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.547 1.953 6.426 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.074 3.384 7.372 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.478 1.822 9.489 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.665 3.137 9.850 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.877 1.541 10.608 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.639 2.865 11.548 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.296 3.574 12.780 1.00 0.35 C ATOM 2110 C ASN A 135 -3.538 2.736 14.034 1.00 0.38 C ATOM 2111 O ASN A 135 -2.681 2.666 14.915 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.106 4.869 12.866 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.384 6.062 12.285 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -2.690 6.779 12.994 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -3.550 6.284 10.994 1.00 0.34 N ATOM 0 H ASN A 135 -4.249 3.395 10.925 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.228 3.790 12.740 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.052 4.734 12.341 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.347 5.071 13.910 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.091 7.079 10.550 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.138 5.660 10.441 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.695 2.100 14.118 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.057 1.367 15.324 1.00 0.42 C ATOM 2124 C ASP A 136 -4.532 -0.063 15.296 1.00 0.40 C ATOM 2125 O ASP A 136 -3.934 -0.539 16.258 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.575 1.347 15.495 1.00 0.45 C ATOM 2127 CG ASP A 136 -6.995 0.698 16.798 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.135 -0.542 16.840 1.00 0.58 O ATOM 2129 OD2 ASP A 136 -7.187 1.430 17.790 1.00 0.59 O ATOM 0 H ASP A 136 -5.394 2.075 13.376 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.597 1.882 16.167 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -6.956 2.367 15.460 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.026 0.809 14.661 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.749 -0.734 14.179 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.497 -2.168 14.074 1.00 0.38 C ATOM 2136 C HIS A 137 -3.077 -2.472 13.614 1.00 0.35 C ATOM 2137 O HIS A 137 -2.359 -3.256 14.235 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.485 -2.776 13.077 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.884 -2.912 13.597 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.378 -4.075 14.143 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -7.905 -2.024 13.630 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.640 -3.899 14.482 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.984 -2.663 14.182 1.00 1.34 N ATOM 0 H HIS A 137 -5.102 -0.308 13.322 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.625 -2.601 15.066 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.503 -2.159 12.179 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -5.123 -3.760 12.780 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -7.875 -1.001 13.285 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.283 -4.642 14.930 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -9.904 -2.249 14.336 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.683 -1.835 12.529 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.470 -2.180 11.820 1.00 0.29 C ATOM 2154 C LEU A 138 -0.229 -1.518 12.385 1.00 0.27 C ATOM 2155 O LEU A 138 0.805 -2.157 12.514 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.653 -1.766 10.377 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.026 -2.887 9.430 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.753 -4.017 10.144 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.876 -2.351 8.300 1.00 1.20 C ATOM 0 H LEU A 138 -3.199 -1.060 12.114 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.311 -3.253 11.923 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.426 -0.999 10.330 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.728 -1.308 10.027 1.00 0.30 H new ATOM 0 HG LEU A 138 -1.101 -3.297 9.025 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -3.002 -4.800 9.427 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -2.110 -4.429 10.922 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.668 -3.633 10.595 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.139 -3.165 7.625 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.786 -1.909 8.707 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.317 -1.592 7.753 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.338 -0.235 12.675 1.00 0.30 N ATOM 2172 CA GLU A 139 0.797 0.573 13.126 1.00 0.31 C ATOM 2173 C GLU A 139 1.638 -0.137 14.201 1.00 0.30 C ATOM 2174 O GLU A 139 2.855 -0.239 14.042 1.00 0.30 O ATOM 2175 CB GLU A 139 0.328 1.944 13.614 1.00 0.38 C ATOM 2176 CG GLU A 139 1.458 2.946 13.769 1.00 0.40 C ATOM 2177 CD GLU A 139 0.959 4.332 14.110 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.248 4.930 13.280 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.289 4.838 15.202 1.00 0.61 O ATOM 0 H GLU A 139 -1.214 0.284 12.607 1.00 0.30 H new ATOM 0 HA GLU A 139 1.448 0.715 12.263 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.406 2.340 12.912 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.178 1.827 14.572 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.137 2.605 14.551 1.00 0.40 H new ATOM 0 HG3 GLU A 139 2.032 2.987 12.843 1.00 0.40 H new ATOM 2186 N PRO A 140 1.029 -0.659 15.297 1.00 0.32 N ATOM 2187 CA PRO A 140 1.777 -1.422 16.305 1.00 0.34 C ATOM 2188 C PRO A 140 2.523 -2.601 15.679 1.00 0.32 C ATOM 2189 O PRO A 140 3.709 -2.804 15.929 1.00 0.34 O ATOM 2190 CB PRO A 140 0.695 -1.926 17.262 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.449 -0.995 17.080 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.403 -0.551 15.647 1.00 0.36 C ATOM 0 HA PRO A 140 2.538 -0.815 16.796 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.409 -2.952 17.029 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.047 -1.920 18.293 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.394 -1.491 17.304 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.368 -0.143 17.755 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.020 -1.185 15.011 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.768 0.469 15.531 1.00 0.36 H new ATOM 2200 N TRP A 141 1.808 -3.356 14.850 1.00 0.31 N ATOM 2201 CA TRP A 141 2.370 -4.496 14.120 1.00 0.32 C ATOM 2202 C TRP A 141 3.553 -4.048 13.262 1.00 0.31 C ATOM 2203 O TRP A 141 4.612 -4.662 13.276 1.00 0.36 O ATOM 2204 CB TRP A 141 1.285 -5.095 13.225 1.00 0.35 C ATOM 2205 CG TRP A 141 1.198 -6.586 13.268 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.121 -7.479 12.812 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.107 -7.360 13.779 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.670 -8.761 13.006 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.439 -8.714 13.603 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -1.117 -7.037 14.371 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -0.409 -9.746 13.997 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.958 -8.062 14.763 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -1.600 -9.402 14.574 1.00 1.20 C ATOM 0 H TRP A 141 0.818 -3.196 14.663 1.00 0.31 H new ATOM 0 HA TRP A 141 2.721 -5.242 14.833 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.321 -4.679 13.517 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.468 -4.784 12.196 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.068 -7.217 12.364 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.171 -9.611 12.747 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.401 -6.006 14.520 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 -0.136 -10.781 13.852 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.906 -7.825 15.222 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -2.279 -10.180 14.890 1.00 1.20 H new ATOM 2224 N ILE A 142 3.348 -2.974 12.521 1.00 0.26 N ATOM 2225 CA ILE A 142 4.393 -2.348 11.720 1.00 0.26 C ATOM 2226 C ILE A 142 5.642 -2.071 12.548 1.00 0.29 C ATOM 2227 O ILE A 142 6.757 -2.399 12.142 1.00 0.32 O ATOM 2228 CB ILE A 142 3.861 -1.028 11.139 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.858 -1.327 10.034 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.993 -0.148 10.633 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.805 -0.265 9.880 1.00 0.26 C ATOM 0 H ILE A 142 2.445 -2.505 12.455 1.00 0.26 H new ATOM 0 HA ILE A 142 4.666 -3.034 10.918 1.00 0.26 H new ATOM 0 HB ILE A 142 3.359 -0.473 11.932 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.391 -1.439 9.090 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.374 -2.281 10.242 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.582 0.777 10.229 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.669 0.084 11.456 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.541 -0.674 9.851 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.124 -0.542 9.075 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.247 -0.169 10.811 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.280 0.687 9.642 1.00 0.26 H new ATOM 2243 N GLN A 143 5.443 -1.452 13.699 1.00 0.30 N ATOM 2244 CA GLN A 143 6.539 -1.122 14.597 1.00 0.35 C ATOM 2245 C GLN A 143 7.271 -2.381 15.065 1.00 0.39 C ATOM 2246 O GLN A 143 8.474 -2.345 15.324 1.00 0.43 O ATOM 2247 CB GLN A 143 6.010 -0.332 15.789 1.00 0.41 C ATOM 2248 CG GLN A 143 5.259 0.923 15.382 1.00 0.43 C ATOM 2249 CD GLN A 143 6.126 1.912 14.632 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.336 2.003 14.858 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.513 2.653 13.727 1.00 0.52 N ATOM 0 H GLN A 143 4.524 -1.165 14.037 1.00 0.30 H new ATOM 0 HA GLN A 143 7.257 -0.508 14.054 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.349 -0.970 16.376 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.844 -0.057 16.434 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.410 0.646 14.758 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.856 1.404 16.273 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.511 2.544 13.573 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.042 3.334 13.182 1.00 0.52 H new ATOM 2260 N GLU A 144 6.546 -3.497 15.147 1.00 0.40 N ATOM 2261 CA GLU A 144 7.142 -4.788 15.475 1.00 0.47 C ATOM 2262 C GLU A 144 8.115 -5.221 14.385 1.00 0.48 C ATOM 2263 O GLU A 144 8.982 -6.068 14.598 1.00 0.55 O ATOM 2264 CB GLU A 144 6.043 -5.837 15.596 1.00 0.51 C ATOM 2265 CG GLU A 144 4.963 -5.477 16.586 1.00 0.52 C ATOM 2266 CD GLU A 144 5.369 -5.730 18.017 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.408 -6.907 18.432 1.00 0.78 O ATOM 2268 OE2 GLU A 144 5.663 -4.752 18.731 1.00 0.67 O ATOM 0 H GLU A 144 5.539 -3.530 14.989 1.00 0.40 H new ATOM 0 HA GLU A 144 7.680 -4.692 16.418 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.589 -5.989 14.617 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.491 -6.786 15.890 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.705 -4.425 16.468 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.065 -6.053 16.361 1.00 0.52 H new ATOM 2275 N ASN A 145 7.948 -4.632 13.212 1.00 0.44 N ATOM 2276 CA ASN A 145 8.729 -4.998 12.039 1.00 0.48 C ATOM 2277 C ASN A 145 9.758 -3.917 11.757 1.00 0.47 C ATOM 2278 O ASN A 145 10.480 -3.966 10.760 1.00 0.57 O ATOM 2279 CB ASN A 145 7.823 -5.195 10.812 1.00 0.49 C ATOM 2280 CG ASN A 145 6.825 -6.338 10.962 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.287 -6.507 12.159 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.518 -7.044 9.999 1.00 0.54 N flip ATOM 0 H ASN A 145 7.270 -3.889 13.045 1.00 0.44 H new ATOM 0 HA ASN A 145 9.236 -5.942 12.240 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.277 -4.271 10.623 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.447 -5.382 9.938 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.954 -6.885 9.090 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.828 -7.787 10.111 1.00 0.54 H new ATOM 2289 N GLY A 146 9.795 -2.931 12.640 1.00 0.42 N ATOM 2290 CA GLY A 146 10.787 -1.884 12.554 1.00 0.45 C ATOM 2291 C GLY A 146 10.191 -0.516 12.277 1.00 0.44 C ATOM 2292 O GLY A 146 10.726 0.501 12.719 1.00 0.56 O ATOM 0 H GLY A 146 9.147 -2.839 13.422 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.348 -1.846 13.488 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.498 -2.130 11.765 1.00 0.45 H new ATOM 2296 N GLY A 147 9.076 -0.491 11.565 1.00 0.36 N ATOM 2297 CA GLY A 147 8.478 0.770 11.166 1.00 0.36 C ATOM 2298 C GLY A 147 8.536 0.954 9.665 1.00 0.38 C ATOM 2299 O GLY A 147 9.353 0.315 9.004 1.00 0.49 O ATOM 0 H GLY A 147 8.572 -1.321 11.255 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.441 0.805 11.499 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.998 1.593 11.656 1.00 0.36 H new ATOM 2303 N TRP A 148 7.686 1.827 9.127 1.00 0.35 N ATOM 2304 CA TRP A 148 7.572 2.011 7.679 1.00 0.37 C ATOM 2305 C TRP A 148 8.905 2.357 7.029 1.00 0.38 C ATOM 2306 O TRP A 148 9.139 1.996 5.880 1.00 0.40 O ATOM 2307 CB TRP A 148 6.544 3.090 7.345 1.00 0.39 C ATOM 2308 CG TRP A 148 5.126 2.651 7.516 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.236 3.086 8.452 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.435 1.688 6.719 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.028 2.459 8.279 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.126 1.594 7.221 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.795 0.900 5.624 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.177 0.741 6.664 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.853 0.054 5.075 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.558 -0.019 5.595 1.00 3.32 C ATOM 0 H TRP A 148 7.063 2.421 9.674 1.00 0.35 H new ATOM 0 HA TRP A 148 7.241 1.055 7.273 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.724 3.958 7.979 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.692 3.412 6.314 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.450 3.817 9.218 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.194 2.612 8.845 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.793 0.952 5.214 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.175 0.682 7.063 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.121 -0.562 4.229 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.843 -0.690 5.142 1.00 3.32 H new ATOM 2327 N ASP A 149 9.783 3.040 7.754 1.00 0.42 N ATOM 2328 CA ASP A 149 11.098 3.368 7.215 1.00 0.47 C ATOM 2329 C ASP A 149 11.880 2.093 6.943 1.00 0.47 C ATOM 2330 O ASP A 149 12.531 1.960 5.908 1.00 0.52 O ATOM 2331 CB ASP A 149 11.889 4.283 8.155 1.00 0.56 C ATOM 2332 CG ASP A 149 12.255 3.634 9.477 1.00 1.23 C ATOM 2333 OD1 ASP A 149 11.347 3.099 10.149 1.00 1.96 O ATOM 2334 OD2 ASP A 149 13.446 3.637 9.842 1.00 1.72 O ATOM 0 H ASP A 149 9.613 3.374 8.703 1.00 0.42 H new ATOM 0 HA ASP A 149 10.948 3.909 6.281 1.00 0.47 H new ATOM 0 HB2 ASP A 149 12.802 4.602 7.653 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.303 5.181 8.352 1.00 0.56 H new ATOM 2339 N THR A 150 11.778 1.145 7.864 1.00 0.47 N ATOM 2340 CA THR A 150 12.415 -0.148 7.707 1.00 0.51 C ATOM 2341 C THR A 150 11.795 -0.919 6.546 1.00 0.50 C ATOM 2342 O THR A 150 12.473 -1.667 5.850 1.00 0.56 O ATOM 2343 CB THR A 150 12.298 -0.984 8.997 1.00 0.56 C ATOM 2344 OG1 THR A 150 13.033 -0.355 10.052 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.804 -2.407 8.785 1.00 0.67 C ATOM 0 H THR A 150 11.255 1.252 8.733 1.00 0.47 H new ATOM 0 HA THR A 150 13.470 0.030 7.497 1.00 0.51 H new ATOM 0 HB THR A 150 11.244 -1.040 9.270 1.00 0.56 H new ATOM 0 HG1 THR A 150 13.088 -0.962 10.819 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.708 -2.970 9.714 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.215 -2.890 8.005 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.851 -2.380 8.484 1.00 0.67 H new ATOM 2353 N PHE A 151 10.507 -0.707 6.331 1.00 0.45 N ATOM 2354 CA PHE A 151 9.789 -1.377 5.260 1.00 0.47 C ATOM 2355 C PHE A 151 10.410 -1.022 3.907 1.00 0.48 C ATOM 2356 O PHE A 151 10.610 -1.885 3.053 1.00 0.55 O ATOM 2357 CB PHE A 151 8.306 -0.978 5.302 1.00 0.47 C ATOM 2358 CG PHE A 151 7.489 -1.684 6.359 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.925 -1.756 7.671 1.00 1.80 C ATOM 2360 CD2 PHE A 151 6.278 -2.274 6.034 1.00 1.75 C ATOM 2361 CE1 PHE A 151 7.173 -2.398 8.636 1.00 2.65 C ATOM 2362 CE2 PHE A 151 5.520 -2.916 6.995 1.00 2.61 C ATOM 2363 CZ PHE A 151 5.968 -2.978 8.297 1.00 3.00 C ATOM 0 H PHE A 151 9.935 -0.072 6.888 1.00 0.45 H new ATOM 0 HA PHE A 151 9.863 -2.456 5.396 1.00 0.47 H new ATOM 0 HB2 PHE A 151 8.238 0.097 5.468 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.863 -1.178 4.327 1.00 0.47 H new ATOM 0 HD1 PHE A 151 8.867 -1.304 7.944 1.00 1.80 H new ATOM 0 HD2 PHE A 151 5.921 -2.232 5.015 1.00 1.75 H new ATOM 0 HE1 PHE A 151 7.528 -2.446 9.655 1.00 2.65 H new ATOM 0 HE2 PHE A 151 4.577 -3.369 6.726 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.377 -3.479 9.050 1.00 3.00 H new ATOM 2373 N VAL A 152 10.755 0.247 3.736 1.00 0.45 N ATOM 2374 CA VAL A 152 11.401 0.707 2.509 1.00 0.49 C ATOM 2375 C VAL A 152 12.878 0.310 2.508 1.00 0.57 C ATOM 2376 O VAL A 152 13.498 0.176 1.459 1.00 0.64 O ATOM 2377 CB VAL A 152 11.237 2.239 2.289 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.148 2.791 3.186 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.534 3.008 2.498 1.00 0.91 C ATOM 0 H VAL A 152 10.599 0.978 4.430 1.00 0.45 H new ATOM 0 HA VAL A 152 10.901 0.217 1.674 1.00 0.49 H new ATOM 0 HB VAL A 152 10.951 2.377 1.246 1.00 0.60 H new ATOM 0 HG11 VAL A 152 10.047 3.863 3.019 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.203 2.298 2.957 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.409 2.610 4.229 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.358 4.071 2.331 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.888 2.855 3.518 1.00 0.91 H new ATOM 0 HG23 VAL A 152 13.286 2.650 1.795 1.00 0.91 H new ATOM 2389 N GLU A 153 13.450 0.130 3.688 1.00 0.59 N ATOM 2390 CA GLU A 153 14.806 -0.392 3.792 1.00 0.69 C ATOM 2391 C GLU A 153 14.893 -1.765 3.128 1.00 0.70 C ATOM 2392 O GLU A 153 15.972 -2.220 2.754 1.00 0.80 O ATOM 2393 CB GLU A 153 15.236 -0.485 5.254 1.00 0.76 C ATOM 2394 CG GLU A 153 15.395 0.871 5.910 1.00 0.80 C ATOM 2395 CD GLU A 153 16.596 1.625 5.392 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.504 2.243 4.313 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.648 1.594 6.059 1.00 1.58 O ATOM 0 H GLU A 153 13.002 0.335 4.581 1.00 0.59 H new ATOM 0 HA GLU A 153 15.480 0.293 3.278 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.499 -1.066 5.808 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.180 -1.026 5.316 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.496 1.463 5.737 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.489 0.741 6.988 1.00 0.80 H new ATOM 2404 N LEU A 154 13.740 -2.414 2.982 1.00 0.67 N ATOM 2405 CA LEU A 154 13.666 -3.724 2.362 1.00 0.72 C ATOM 2406 C LEU A 154 13.227 -3.600 0.908 1.00 0.74 C ATOM 2407 O LEU A 154 13.911 -4.072 0.000 1.00 0.83 O ATOM 2408 CB LEU A 154 12.673 -4.613 3.118 1.00 0.72 C ATOM 2409 CG LEU A 154 12.594 -4.371 4.628 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.641 -5.348 5.282 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.966 -4.462 5.270 1.00 1.14 C ATOM 0 H LEU A 154 12.840 -2.045 3.289 1.00 0.67 H new ATOM 0 HA LEU A 154 14.657 -4.176 2.400 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.681 -4.466 2.691 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.942 -5.656 2.948 1.00 0.72 H new ATOM 0 HG LEU A 154 12.213 -3.361 4.781 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.602 -5.156 6.354 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.645 -5.226 4.855 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.988 -6.367 5.108 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.878 -4.286 6.342 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.383 -5.454 5.098 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.623 -3.711 4.831 1.00 1.14 H new ATOM 2423 N TYR A 155 12.080 -2.961 0.690 1.00 0.69 N ATOM 2424 CA TYR A 155 11.491 -2.896 -0.641 1.00 0.78 C ATOM 2425 C TYR A 155 11.293 -1.468 -1.117 1.00 0.77 C ATOM 2426 O TYR A 155 10.393 -1.168 -1.901 1.00 1.15 O ATOM 2427 CB TYR A 155 10.178 -3.651 -0.676 1.00 0.86 C ATOM 2428 CG TYR A 155 9.132 -3.251 0.344 1.00 1.40 C ATOM 2429 CD1 TYR A 155 8.353 -2.115 0.159 1.00 2.24 C ATOM 2430 CD2 TYR A 155 8.955 -3.981 1.513 1.00 1.83 C ATOM 2431 CE1 TYR A 155 7.431 -1.722 1.109 1.00 3.16 C ATOM 2432 CE2 TYR A 155 8.030 -3.599 2.461 1.00 2.65 C ATOM 2433 CZ TYR A 155 7.153 -2.565 2.170 1.00 3.24 C ATOM 2434 OH TYR A 155 6.366 -2.078 3.208 1.00 4.24 O ATOM 0 H TYR A 155 11.544 -2.484 1.415 1.00 0.69 H new ATOM 0 HA TYR A 155 12.195 -3.368 -1.326 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.745 -3.534 -1.670 1.00 0.86 H new ATOM 0 HB3 TYR A 155 10.392 -4.712 -0.544 1.00 0.86 H new ATOM 0 HD1 TYR A 155 8.471 -1.531 -0.742 1.00 2.24 H new ATOM 0 HD2 TYR A 155 9.553 -4.864 1.682 1.00 1.83 H new ATOM 0 HE1 TYR A 155 6.933 -0.768 1.025 1.00 3.16 H new ATOM 0 HE2 TYR A 155 7.989 -4.098 3.418 1.00 2.65 H new ATOM 0 HH TYR A 155 6.444 -2.671 3.984 1.00 4.24 H new ATOM 2444 N GLY A 156 12.158 -0.612 -0.652 1.00 0.66 N ATOM 2445 CA GLY A 156 12.078 0.797 -0.973 1.00 0.64 C ATOM 2446 C GLY A 156 12.329 1.102 -2.421 1.00 0.78 C ATOM 2447 O GLY A 156 12.869 0.287 -3.173 1.00 1.10 O ATOM 0 H GLY A 156 12.937 -0.862 -0.043 1.00 0.66 H new ATOM 0 HA2 GLY A 156 11.090 1.167 -0.699 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.802 1.340 -0.366 1.00 0.64 H new ATOM 2451 N ASN A 157 11.930 2.300 -2.783 1.00 0.70 N ATOM 2452 CA ASN A 157 12.023 2.811 -4.131 1.00 0.80 C ATOM 2453 C ASN A 157 13.435 2.692 -4.693 1.00 1.14 C ATOM 2454 O ASN A 157 14.367 3.336 -4.206 1.00 1.29 O ATOM 2455 CB ASN A 157 11.586 4.262 -4.096 1.00 0.70 C ATOM 2456 CG ASN A 157 11.611 4.927 -5.450 1.00 0.77 C ATOM 2457 OD1 ASN A 157 12.600 5.550 -5.830 1.00 0.88 O ATOM 2458 ND2 ASN A 157 10.530 4.786 -6.192 1.00 0.76 N ATOM 0 H ASN A 157 11.520 2.965 -2.128 1.00 0.70 H new ATOM 0 HA ASN A 157 11.382 2.223 -4.788 1.00 0.80 H new ATOM 0 HB2 ASN A 157 10.576 4.320 -3.689 1.00 0.70 H new ATOM 0 HB3 ASN A 157 12.236 4.813 -3.416 1.00 0.70 H new ATOM 0 HD21 ASN A 157 10.492 5.203 -7.122 1.00 0.76 H new ATOM 0 HD22 ASN A 157 9.732 4.260 -5.836 1.00 0.76 H new ATOM 2465 N ASN A 158 13.584 1.873 -5.726 1.00 1.40 N ATOM 2466 CA ASN A 158 14.897 1.620 -6.306 1.00 1.79 C ATOM 2467 C ASN A 158 15.397 2.800 -7.114 1.00 1.93 C ATOM 2468 O ASN A 158 16.602 2.993 -7.226 1.00 2.18 O ATOM 2469 CB ASN A 158 14.896 0.370 -7.179 1.00 2.11 C ATOM 2470 CG ASN A 158 15.111 -0.892 -6.374 1.00 2.55 C ATOM 2471 OD1 ASN A 158 14.160 -1.548 -5.953 1.00 2.99 O ATOM 2472 ND2 ASN A 158 16.369 -1.239 -6.152 1.00 2.94 N ATOM 0 H ASN A 158 12.817 1.375 -6.178 1.00 1.40 H new ATOM 0 HA ASN A 158 15.574 1.463 -5.467 1.00 1.79 H new ATOM 0 HB2 ASN A 158 13.947 0.302 -7.711 1.00 2.11 H new ATOM 0 HB3 ASN A 158 15.679 0.455 -7.933 1.00 2.11 H new ATOM 0 HD21 ASN A 158 16.579 -2.079 -5.613 1.00 2.94 H new ATOM 0 HD22 ASN A 158 17.129 -0.666 -6.520 1.00 2.94 H new ATOM 2479 N ALA A 159 14.481 3.586 -7.671 1.00 1.86 N ATOM 2480 CA ALA A 159 14.855 4.771 -8.435 1.00 2.10 C ATOM 2481 C ALA A 159 15.754 5.680 -7.602 1.00 2.25 C ATOM 2482 O ALA A 159 16.794 6.150 -8.070 1.00 2.52 O ATOM 2483 CB ALA A 159 13.617 5.523 -8.895 1.00 2.14 C ATOM 0 H ALA A 159 13.476 3.424 -7.608 1.00 1.86 H new ATOM 0 HA ALA A 159 15.409 4.451 -9.317 1.00 2.10 H new ATOM 0 HB1 ALA A 159 13.916 6.404 -9.463 1.00 2.14 H new ATOM 0 HB2 ALA A 159 13.010 4.873 -9.526 1.00 2.14 H new ATOM 0 HB3 ALA A 159 13.035 5.832 -8.027 1.00 2.14 H new ATOM 2489 N ALA A 160 15.351 5.903 -6.358 1.00 2.17 N ATOM 2490 CA ALA A 160 16.148 6.676 -5.421 1.00 2.44 C ATOM 2491 C ALA A 160 17.312 5.844 -4.890 1.00 2.55 C ATOM 2492 O ALA A 160 18.414 6.360 -4.693 1.00 2.87 O ATOM 2493 CB ALA A 160 15.283 7.174 -4.274 1.00 2.45 C ATOM 0 H ALA A 160 14.471 5.556 -5.975 1.00 2.17 H new ATOM 0 HA ALA A 160 16.556 7.539 -5.947 1.00 2.44 H new ATOM 0 HB1 ALA A 160 15.895 7.751 -3.581 1.00 2.45 H new ATOM 0 HB2 ALA A 160 14.486 7.805 -4.667 1.00 2.45 H new ATOM 0 HB3 ALA A 160 14.847 6.323 -3.751 1.00 2.45 H new ATOM 2499 N ALA A 161 17.062 4.552 -4.675 1.00 2.37 N ATOM 2500 CA ALA A 161 18.077 3.640 -4.158 1.00 2.60 C ATOM 2501 C ALA A 161 19.326 3.643 -5.034 1.00 2.85 C ATOM 2502 O ALA A 161 20.405 4.004 -4.570 1.00 3.20 O ATOM 2503 CB ALA A 161 17.518 2.229 -4.034 1.00 2.50 C ATOM 0 H ALA A 161 16.158 4.113 -4.853 1.00 2.37 H new ATOM 0 HA ALA A 161 18.363 3.991 -3.166 1.00 2.60 H new ATOM 0 HB1 ALA A 161 18.290 1.564 -3.647 1.00 2.50 H new ATOM 0 HB2 ALA A 161 16.668 2.233 -3.352 1.00 2.50 H new ATOM 0 HB3 ALA A 161 17.195 1.878 -5.014 1.00 2.50 H new ATOM 2509 N GLU A 162 19.175 3.254 -6.301 1.00 2.76 N ATOM 2510 CA GLU A 162 20.297 3.243 -7.241 1.00 3.08 C ATOM 2511 C GLU A 162 20.929 4.622 -7.370 1.00 3.31 C ATOM 2512 O GLU A 162 22.143 4.743 -7.514 1.00 3.67 O ATOM 2513 CB GLU A 162 19.861 2.760 -8.628 1.00 3.06 C ATOM 2514 CG GLU A 162 18.713 3.549 -9.232 1.00 3.25 C ATOM 2515 CD GLU A 162 18.351 3.077 -10.622 1.00 3.48 C ATOM 2516 OE1 GLU A 162 19.158 3.279 -11.550 1.00 3.71 O ATOM 2517 OE2 GLU A 162 17.252 2.510 -10.797 1.00 3.72 O ATOM 0 H GLU A 162 18.289 2.943 -6.699 1.00 2.76 H new ATOM 0 HA GLU A 162 21.035 2.549 -6.838 1.00 3.08 H new ATOM 0 HB2 GLU A 162 20.716 2.810 -9.303 1.00 3.06 H new ATOM 0 HB3 GLU A 162 19.570 1.712 -8.560 1.00 3.06 H new ATOM 0 HG2 GLU A 162 17.840 3.466 -8.585 1.00 3.25 H new ATOM 0 HG3 GLU A 162 18.982 4.605 -9.269 1.00 3.25 H new ATOM 2524 N SER A 163 20.103 5.656 -7.302 1.00 3.19 N ATOM 2525 CA SER A 163 20.576 7.019 -7.454 1.00 3.52 C ATOM 2526 C SER A 163 21.585 7.364 -6.360 1.00 3.81 C ATOM 2527 O SER A 163 22.648 7.925 -6.631 1.00 4.18 O ATOM 2528 CB SER A 163 19.391 7.989 -7.418 1.00 3.44 C ATOM 2529 OG SER A 163 19.814 9.336 -7.538 1.00 3.87 O ATOM 0 H SER A 163 19.099 5.574 -7.142 1.00 3.19 H new ATOM 0 HA SER A 163 21.077 7.111 -8.418 1.00 3.52 H new ATOM 0 HB2 SER A 163 18.701 7.751 -8.227 1.00 3.44 H new ATOM 0 HB3 SER A 163 18.844 7.861 -6.484 1.00 3.44 H new ATOM 0 HG SER A 163 19.061 9.891 -7.830 1.00 3.87 H new ATOM 2535 N ARG A 164 21.259 6.997 -5.126 1.00 3.70 N ATOM 2536 CA ARG A 164 22.131 7.274 -3.990 1.00 4.07 C ATOM 2537 C ARG A 164 23.197 6.195 -3.851 1.00 4.24 C ATOM 2538 O ARG A 164 24.158 6.346 -3.101 1.00 4.61 O ATOM 2539 CB ARG A 164 21.319 7.374 -2.693 1.00 4.05 C ATOM 2540 CG ARG A 164 20.637 8.721 -2.473 1.00 4.12 C ATOM 2541 CD ARG A 164 19.646 9.066 -3.577 1.00 4.41 C ATOM 2542 NE ARG A 164 18.882 10.271 -3.262 1.00 4.73 N ATOM 2543 CZ ARG A 164 18.137 10.945 -4.137 1.00 5.32 C ATOM 2544 NH1 ARG A 164 18.131 10.607 -5.421 1.00 5.65 N ATOM 2545 NH2 ARG A 164 17.413 11.978 -3.730 1.00 5.82 N ATOM 0 H ARG A 164 20.397 6.507 -4.886 1.00 3.70 H new ATOM 0 HA ARG A 164 22.622 8.230 -4.172 1.00 4.07 H new ATOM 0 HB2 ARG A 164 20.559 6.593 -2.694 1.00 4.05 H new ATOM 0 HB3 ARG A 164 21.980 7.174 -1.850 1.00 4.05 H new ATOM 0 HG2 ARG A 164 20.117 8.708 -1.515 1.00 4.12 H new ATOM 0 HG3 ARG A 164 21.395 9.502 -2.414 1.00 4.12 H new ATOM 0 HD2 ARG A 164 20.182 9.210 -4.515 1.00 4.41 H new ATOM 0 HD3 ARG A 164 18.962 8.230 -3.726 1.00 4.41 H new ATOM 0 HE ARG A 164 18.922 10.621 -2.305 1.00 4.73 H new ATOM 0 HH11 ARG A 164 18.700 9.825 -5.745 1.00 5.65 H new ATOM 0 HH12 ARG A 164 17.557 11.129 -6.083 1.00 5.65 H new ATOM 0 HH21 ARG A 164 17.427 12.256 -2.749 1.00 5.82 H new ATOM 0 HH22 ARG A 164 16.842 12.495 -4.398 1.00 5.82 H new ATOM 2559 N LYS A 165 23.024 5.114 -4.590 1.00 4.03 N ATOM 2560 CA LYS A 165 23.944 3.987 -4.529 1.00 4.26 C ATOM 2561 C LYS A 165 25.073 4.168 -5.534 1.00 4.49 C ATOM 2562 O LYS A 165 26.208 3.762 -5.291 1.00 4.77 O ATOM 2563 CB LYS A 165 23.205 2.683 -4.829 1.00 4.10 C ATOM 2564 CG LYS A 165 24.008 1.437 -4.494 1.00 4.47 C ATOM 2565 CD LYS A 165 23.316 0.186 -4.989 1.00 4.47 C ATOM 2566 CE LYS A 165 22.004 -0.041 -4.259 1.00 4.43 C ATOM 2567 NZ LYS A 165 22.203 -0.422 -2.836 1.00 4.72 N ATOM 0 H LYS A 165 22.251 4.990 -5.244 1.00 4.03 H new ATOM 0 HA LYS A 165 24.362 3.942 -3.523 1.00 4.26 H new ATOM 0 HB2 LYS A 165 22.272 2.666 -4.266 1.00 4.10 H new ATOM 0 HB3 LYS A 165 22.940 2.661 -5.886 1.00 4.10 H new ATOM 0 HG2 LYS A 165 24.999 1.509 -4.943 1.00 4.47 H new ATOM 0 HG3 LYS A 165 24.151 1.373 -3.415 1.00 4.47 H new ATOM 0 HD2 LYS A 165 23.130 0.270 -6.060 1.00 4.47 H new ATOM 0 HD3 LYS A 165 23.969 -0.675 -4.845 1.00 4.47 H new ATOM 0 HE2 LYS A 165 21.403 0.867 -4.308 1.00 4.43 H new ATOM 0 HE3 LYS A 165 21.441 -0.824 -4.766 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 21.297 -0.729 -2.429 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 22.890 -1.201 -2.778 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 22.562 0.397 -2.304 1.00 4.72 H new ATOM 2581 N GLY A 166 24.749 4.785 -6.663 1.00 4.45 N ATOM 2582 CA GLY A 166 25.716 4.970 -7.724 1.00 4.72 C ATOM 2583 C GLY A 166 26.910 5.800 -7.297 1.00 4.91 C ATOM 2584 O GLY A 166 28.017 5.603 -7.793 1.00 5.10 O ATOM 0 H GLY A 166 23.823 5.164 -6.862 1.00 4.45 H new ATOM 0 HA2 GLY A 166 26.062 3.995 -8.067 1.00 4.72 H new ATOM 0 HA3 GLY A 166 25.229 5.452 -8.572 1.00 4.72 H new ATOM 2588 N GLN A 167 26.690 6.722 -6.371 1.00 4.92 N ATOM 2589 CA GLN A 167 27.771 7.559 -5.870 1.00 5.16 C ATOM 2590 C GLN A 167 28.605 6.802 -4.849 1.00 5.19 C ATOM 2591 O GLN A 167 29.700 7.228 -4.485 1.00 5.45 O ATOM 2592 CB GLN A 167 27.224 8.837 -5.245 1.00 5.30 C ATOM 2593 CG GLN A 167 26.265 8.596 -4.094 1.00 5.16 C ATOM 2594 CD GLN A 167 25.886 9.874 -3.376 1.00 5.42 C ATOM 2595 OE1 GLN A 167 24.902 10.527 -3.719 1.00 5.60 O ATOM 2596 NE2 GLN A 167 26.675 10.248 -2.383 1.00 5.72 N ATOM 0 H GLN A 167 25.778 6.909 -5.953 1.00 4.92 H new ATOM 0 HA GLN A 167 28.404 7.828 -6.715 1.00 5.16 H new ATOM 0 HB2 GLN A 167 28.058 9.442 -4.890 1.00 5.30 H new ATOM 0 HB3 GLN A 167 26.714 9.417 -6.014 1.00 5.30 H new ATOM 0 HG2 GLN A 167 25.363 8.115 -4.472 1.00 5.16 H new ATOM 0 HG3 GLN A 167 26.721 7.906 -3.384 1.00 5.16 H new ATOM 0 HE21 GLN A 167 27.482 9.677 -2.130 1.00 5.72 H new ATOM 0 HE22 GLN A 167 26.477 11.107 -1.870 1.00 5.72 H new ATOM 2605 N GLU A 168 28.075 5.684 -4.380 1.00 5.02 N ATOM 2606 CA GLU A 168 28.786 4.840 -3.434 1.00 5.17 C ATOM 2607 C GLU A 168 29.612 3.800 -4.171 1.00 5.30 C ATOM 2608 O GLU A 168 30.216 2.921 -3.555 1.00 5.55 O ATOM 2609 CB GLU A 168 27.810 4.136 -2.491 1.00 5.10 C ATOM 2610 CG GLU A 168 26.822 5.063 -1.809 1.00 5.39 C ATOM 2611 CD GLU A 168 25.950 4.333 -0.810 1.00 5.63 C ATOM 2612 OE1 GLU A 168 25.171 3.451 -1.231 1.00 5.81 O ATOM 2613 OE2 GLU A 168 26.023 4.645 0.399 1.00 5.88 O ATOM 0 H GLU A 168 27.151 5.339 -4.640 1.00 5.02 H new ATOM 0 HA GLU A 168 29.446 5.478 -2.847 1.00 5.17 H new ATOM 0 HB2 GLU A 168 27.256 3.385 -3.055 1.00 5.10 H new ATOM 0 HB3 GLU A 168 28.379 3.606 -1.728 1.00 5.10 H new ATOM 0 HG2 GLU A 168 27.365 5.860 -1.301 1.00 5.39 H new ATOM 0 HG3 GLU A 168 26.191 5.537 -2.562 1.00 5.39 H new ATOM 2620 N ARG A 169 29.625 3.904 -5.493 1.00 5.23 N ATOM 2621 CA ARG A 169 30.391 2.993 -6.325 1.00 5.45 C ATOM 2622 C ARG A 169 31.874 3.126 -6.018 1.00 5.78 C ATOM 2623 O ARG A 169 32.574 2.130 -5.831 1.00 6.09 O ATOM 2624 CB ARG A 169 30.121 3.274 -7.796 1.00 5.37 C ATOM 2625 CG ARG A 169 30.730 2.245 -8.710 1.00 5.66 C ATOM 2626 CD ARG A 169 30.130 0.880 -8.460 1.00 6.08 C ATOM 2627 NE ARG A 169 28.677 0.865 -8.633 1.00 6.39 N ATOM 2628 CZ ARG A 169 27.875 -0.024 -8.047 1.00 6.90 C ATOM 2629 NH1 ARG A 169 28.392 -0.963 -7.263 1.00 7.13 N ATOM 2630 NH2 ARG A 169 26.561 0.021 -8.242 1.00 7.34 N ATOM 0 H ARG A 169 29.110 4.615 -6.012 1.00 5.23 H new ATOM 0 HA ARG A 169 30.083 1.970 -6.107 1.00 5.45 H new ATOM 0 HB2 ARG A 169 29.044 3.309 -7.962 1.00 5.37 H new ATOM 0 HB3 ARG A 169 30.515 4.258 -8.051 1.00 5.37 H new ATOM 0 HG2 ARG A 169 30.568 2.533 -9.749 1.00 5.66 H new ATOM 0 HG3 ARG A 169 31.808 2.207 -8.554 1.00 5.66 H new ATOM 0 HD2 ARG A 169 30.581 0.158 -9.141 1.00 6.08 H new ATOM 0 HD3 ARG A 169 30.375 0.559 -7.448 1.00 6.08 H new ATOM 0 HE ARG A 169 28.255 1.573 -9.234 1.00 6.39 H new ATOM 0 HH11 ARG A 169 29.400 -1.002 -7.111 1.00 7.13 H new ATOM 0 HH12 ARG A 169 27.781 -1.645 -6.813 1.00 7.13 H new ATOM 0 HH21 ARG A 169 26.159 0.740 -8.844 1.00 7.34 H new ATOM 0 HH22 ARG A 169 25.955 -0.663 -7.790 1.00 7.34 H new ATOM 2644 N LEU A 170 32.340 4.360 -5.953 1.00 5.79 N ATOM 2645 CA LEU A 170 33.726 4.642 -5.624 1.00 6.19 C ATOM 2646 C LEU A 170 33.803 5.690 -4.525 1.00 6.32 C ATOM 2647 O LEU A 170 34.795 5.764 -3.795 1.00 6.79 O ATOM 2648 CB LEU A 170 34.499 5.112 -6.854 1.00 6.33 C ATOM 2649 CG LEU A 170 35.125 4.009 -7.719 1.00 6.61 C ATOM 2650 CD1 LEU A 170 35.927 3.044 -6.862 1.00 6.97 C ATOM 2651 CD2 LEU A 170 34.068 3.264 -8.521 1.00 6.43 C ATOM 0 H LEU A 170 31.773 5.190 -6.125 1.00 5.79 H new ATOM 0 HA LEU A 170 34.183 3.719 -5.268 1.00 6.19 H new ATOM 0 HB2 LEU A 170 33.826 5.698 -7.479 1.00 6.33 H new ATOM 0 HB3 LEU A 170 35.293 5.782 -6.525 1.00 6.33 H new ATOM 0 HG LEU A 170 35.802 4.488 -8.427 1.00 6.61 H new ATOM 0 HD11 LEU A 170 36.362 2.270 -7.495 1.00 6.97 H new ATOM 0 HD12 LEU A 170 36.724 3.586 -6.352 1.00 6.97 H new ATOM 0 HD13 LEU A 170 35.272 2.582 -6.123 1.00 6.97 H new ATOM 0 HD21 LEU A 170 34.546 2.490 -9.122 1.00 6.43 H new ATOM 0 HD22 LEU A 170 33.352 2.804 -7.840 1.00 6.43 H new ATOM 0 HD23 LEU A 170 33.548 3.963 -9.176 1.00 6.43 H new ATOM 2663 N GLU A 171 32.747 6.506 -4.435 1.00 6.03 N ATOM 2664 CA GLU A 171 32.624 7.543 -3.410 1.00 6.27 C ATOM 2665 C GLU A 171 33.713 8.599 -3.553 1.00 6.70 C ATOM 2666 O GLU A 171 34.470 8.610 -4.527 1.00 6.90 O ATOM 2667 CB GLU A 171 32.664 6.936 -2.002 1.00 6.34 C ATOM 2668 CG GLU A 171 31.550 5.940 -1.734 1.00 6.31 C ATOM 2669 CD GLU A 171 31.579 5.403 -0.321 1.00 6.67 C ATOM 2670 OE1 GLU A 171 32.486 4.610 0.000 1.00 6.91 O ATOM 2671 OE2 GLU A 171 30.698 5.778 0.481 1.00 6.97 O ATOM 0 H GLU A 171 31.953 6.464 -5.074 1.00 6.03 H new ATOM 0 HA GLU A 171 31.657 8.025 -3.555 1.00 6.27 H new ATOM 0 HB2 GLU A 171 33.624 6.441 -1.857 1.00 6.34 H new ATOM 0 HB3 GLU A 171 32.605 7.740 -1.268 1.00 6.34 H new ATOM 0 HG2 GLU A 171 30.588 6.418 -1.917 1.00 6.31 H new ATOM 0 HG3 GLU A 171 31.633 5.110 -2.436 1.00 6.31 H new ATOM 2678 N HIS A 172 33.758 9.511 -2.601 1.00 7.18 N ATOM 2679 CA HIS A 172 34.806 10.514 -2.550 1.00 7.91 C ATOM 2680 C HIS A 172 35.774 10.166 -1.432 1.00 8.34 C ATOM 2681 O HIS A 172 35.459 9.337 -0.577 1.00 8.55 O ATOM 2682 CB HIS A 172 34.211 11.905 -2.316 1.00 8.43 C ATOM 2683 CG HIS A 172 33.286 12.355 -3.405 1.00 8.65 C ATOM 2684 ND1 HIS A 172 31.923 12.166 -3.358 1.00 8.91 N ATOM 2685 CD2 HIS A 172 33.534 12.991 -4.573 1.00 8.94 C ATOM 2686 CE1 HIS A 172 31.373 12.664 -4.446 1.00 9.32 C ATOM 2687 NE2 HIS A 172 32.327 13.173 -5.201 1.00 9.35 N ATOM 0 H HIS A 172 33.075 9.578 -1.846 1.00 7.18 H new ATOM 0 HA HIS A 172 35.335 10.527 -3.503 1.00 7.91 H new ATOM 0 HB2 HIS A 172 33.671 11.905 -1.369 1.00 8.43 H new ATOM 0 HB3 HIS A 172 35.023 12.626 -2.220 1.00 8.43 H new ATOM 0 HD2 HIS A 172 34.501 13.298 -4.942 1.00 8.94 H new ATOM 0 HE1 HIS A 172 30.319 12.657 -4.680 1.00 9.32 H new ATOM 0 HE2 HIS A 172 32.190 13.628 -6.104 1.00 9.35 H new ATOM 2696 N HIS A 173 36.943 10.787 -1.429 1.00 8.71 N ATOM 2697 CA HIS A 173 37.926 10.517 -0.390 1.00 9.35 C ATOM 2698 C HIS A 173 37.451 11.107 0.931 1.00 9.73 C ATOM 2699 O HIS A 173 37.589 10.493 1.988 1.00 10.12 O ATOM 2700 CB HIS A 173 39.296 11.083 -0.765 1.00 9.85 C ATOM 2701 CG HIS A 173 40.389 10.654 0.164 1.00 10.34 C ATOM 2702 ND1 HIS A 173 40.882 11.452 1.172 1.00 10.84 N ATOM 2703 CD2 HIS A 173 41.085 9.494 0.234 1.00 10.66 C ATOM 2704 CE1 HIS A 173 41.830 10.805 1.819 1.00 11.40 C ATOM 2705 NE2 HIS A 173 41.973 9.617 1.271 1.00 11.31 N ATOM 0 H HIS A 173 37.233 11.474 -2.125 1.00 8.71 H new ATOM 0 HA HIS A 173 38.031 9.437 -0.285 1.00 9.35 H new ATOM 0 HB2 HIS A 173 39.546 10.769 -1.778 1.00 9.85 H new ATOM 0 HB3 HIS A 173 39.242 12.172 -0.773 1.00 9.85 H new ATOM 0 HD2 HIS A 173 40.963 8.633 -0.407 1.00 10.66 H new ATOM 0 HE1 HIS A 173 42.394 11.185 2.658 1.00 11.40 H new ATOM 0 HE2 HIS A 173 42.637 8.903 1.570 1.00 11.31 H new ATOM 2714 N HIS A 174 36.895 12.308 0.860 1.00 9.86 N ATOM 2715 CA HIS A 174 36.246 12.911 2.014 1.00 10.40 C ATOM 2716 C HIS A 174 34.807 12.402 2.116 1.00 11.06 C ATOM 2717 O HIS A 174 33.876 12.982 1.556 1.00 11.27 O ATOM 2718 CB HIS A 174 36.298 14.455 1.952 1.00 10.58 C ATOM 2719 CG HIS A 174 35.593 15.073 0.776 1.00 10.83 C ATOM 2720 ND1 HIS A 174 35.828 14.978 -0.554 1.00 11.12 N flip ATOM 2721 CD2 HIS A 174 34.494 15.897 0.906 1.00 11.10 C flip ATOM 2722 CE1 HIS A 174 34.876 15.732 -1.190 1.00 11.52 C flip ATOM 2723 NE2 HIS A 174 34.085 16.274 -0.288 1.00 11.52 N flip ATOM 0 H HIS A 174 36.880 12.883 0.017 1.00 9.86 H new ATOM 0 HA HIS A 174 36.787 12.616 2.913 1.00 10.40 H new ATOM 0 HB2 HIS A 174 35.862 14.854 2.868 1.00 10.58 H new ATOM 0 HB3 HIS A 174 37.342 14.767 1.934 1.00 10.58 H new ATOM 0 HD2 HIS A 174 34.040 16.188 1.842 1.00 11.10 H new ATOM 0 HE1 HIS A 174 34.789 15.861 -2.259 1.00 11.52 H new ATOM 0 HE2 HIS A 174 33.290 16.883 -0.481 1.00 11.52 H new ATOM 2732 N HIS A 175 34.639 11.281 2.796 1.00 11.59 N ATOM 2733 CA HIS A 175 33.331 10.656 2.923 1.00 12.41 C ATOM 2734 C HIS A 175 32.648 11.101 4.209 1.00 12.84 C ATOM 2735 O HIS A 175 31.426 11.257 4.245 1.00 13.21 O ATOM 2736 CB HIS A 175 33.471 9.128 2.891 1.00 12.99 C ATOM 2737 CG HIS A 175 32.196 8.395 3.175 1.00 13.51 C ATOM 2738 ND1 HIS A 175 31.985 7.681 4.335 1.00 13.89 N ATOM 2739 CD2 HIS A 175 31.059 8.273 2.450 1.00 13.89 C ATOM 2740 CE1 HIS A 175 30.776 7.154 4.313 1.00 14.46 C ATOM 2741 NE2 HIS A 175 30.194 7.498 3.182 1.00 14.48 N ATOM 0 H HIS A 175 35.393 10.783 3.270 1.00 11.59 H new ATOM 0 HA HIS A 175 32.712 10.969 2.082 1.00 12.41 H new ATOM 0 HB2 HIS A 175 33.841 8.827 1.911 1.00 12.99 H new ATOM 0 HB3 HIS A 175 34.222 8.827 3.621 1.00 12.99 H new ATOM 0 HD2 HIS A 175 30.868 8.704 1.478 1.00 13.89 H new ATOM 0 HE1 HIS A 175 30.338 6.545 5.090 1.00 14.46 H new ATOM 0 HE2 HIS A 175 29.252 7.231 2.896 1.00 14.48 H new ATOM 2750 N HIS A 176 33.457 11.317 5.244 1.00 12.98 N ATOM 2751 CA HIS A 176 32.976 11.694 6.572 1.00 13.55 C ATOM 2752 C HIS A 176 32.326 10.516 7.282 1.00 13.90 C ATOM 2753 O HIS A 176 31.546 9.762 6.699 1.00 14.09 O ATOM 2754 CB HIS A 176 32.017 12.889 6.524 1.00 13.99 C ATOM 2755 CG HIS A 176 32.718 14.204 6.410 1.00 14.45 C ATOM 2756 ND1 HIS A 176 32.823 14.908 5.231 1.00 14.88 N ATOM 2757 CD2 HIS A 176 33.354 14.945 7.346 1.00 14.71 C ATOM 2758 CE1 HIS A 176 33.498 16.021 5.447 1.00 15.37 C ATOM 2759 NE2 HIS A 176 33.831 16.069 6.721 1.00 15.28 N ATOM 0 H HIS A 176 34.472 11.235 5.185 1.00 12.98 H new ATOM 0 HA HIS A 176 33.852 12.000 7.144 1.00 13.55 H new ATOM 0 HB2 HIS A 176 31.342 12.770 5.677 1.00 13.99 H new ATOM 0 HB3 HIS A 176 31.402 12.889 7.424 1.00 13.99 H new ATOM 0 HD2 HIS A 176 33.466 14.698 8.391 1.00 14.71 H new ATOM 0 HE1 HIS A 176 33.737 16.767 4.704 1.00 15.37 H new ATOM 0 HE2 HIS A 176 34.357 16.819 7.169 1.00 15.28 H new ATOM 2768 N HIS A 177 32.668 10.362 8.547 1.00 14.14 N ATOM 2769 CA HIS A 177 32.166 9.269 9.363 1.00 14.65 C ATOM 2770 C HIS A 177 32.222 9.669 10.828 1.00 15.60 C ATOM 2771 O HIS A 177 33.028 10.519 11.209 1.00 16.02 O ATOM 2772 CB HIS A 177 32.976 7.984 9.123 1.00 14.60 C ATOM 2773 CG HIS A 177 34.450 8.114 9.391 1.00 14.47 C ATOM 2774 ND1 HIS A 177 35.085 7.472 10.431 1.00 14.51 N ATOM 2775 CD2 HIS A 177 35.414 8.807 8.738 1.00 14.51 C ATOM 2776 CE1 HIS A 177 36.371 7.766 10.407 1.00 14.56 C ATOM 2777 NE2 HIS A 177 36.596 8.574 9.390 1.00 14.56 N ATOM 0 H HIS A 177 33.302 10.991 9.040 1.00 14.14 H new ATOM 0 HA HIS A 177 31.133 9.065 9.083 1.00 14.65 H new ATOM 0 HB2 HIS A 177 32.573 7.193 9.756 1.00 14.60 H new ATOM 0 HB3 HIS A 177 32.834 7.669 8.089 1.00 14.60 H new ATOM 0 HD2 HIS A 177 35.276 9.428 7.865 1.00 14.51 H new ATOM 0 HE1 HIS A 177 37.114 7.406 11.103 1.00 14.56 H new ATOM 0 HE2 HIS A 177 37.503 8.963 9.131 1.00 14.56 H new ATOM 2786 N LEU A 178 31.377 9.061 11.643 1.00 16.06 N ATOM 2787 CA LEU A 178 31.285 9.429 13.047 1.00 17.08 C ATOM 2788 C LEU A 178 32.503 8.947 13.821 1.00 17.58 C ATOM 2789 O LEU A 178 32.556 7.803 14.272 1.00 17.74 O ATOM 2790 CB LEU A 178 30.002 8.878 13.686 1.00 17.47 C ATOM 2791 CG LEU A 178 28.708 9.628 13.343 1.00 17.56 C ATOM 2792 CD1 LEU A 178 28.841 11.106 13.680 1.00 17.99 C ATOM 2793 CD2 LEU A 178 28.339 9.443 11.879 1.00 17.68 C ATOM 0 H LEU A 178 30.746 8.312 11.358 1.00 16.06 H new ATOM 0 HA LEU A 178 31.252 10.517 13.095 1.00 17.08 H new ATOM 0 HB2 LEU A 178 29.887 7.837 13.384 1.00 17.47 H new ATOM 0 HB3 LEU A 178 30.127 8.884 14.769 1.00 17.47 H new ATOM 0 HG LEU A 178 27.905 9.207 13.947 1.00 17.56 H new ATOM 0 HD11 LEU A 178 27.914 11.621 13.430 1.00 17.99 H new ATOM 0 HD12 LEU A 178 29.043 11.220 14.745 1.00 17.99 H new ATOM 0 HD13 LEU A 178 29.662 11.537 13.107 1.00 17.99 H new ATOM 0 HD21 LEU A 178 27.418 9.985 11.665 1.00 17.68 H new ATOM 0 HD22 LEU A 178 29.142 9.828 11.250 1.00 17.68 H new ATOM 0 HD23 LEU A 178 28.192 8.383 11.672 1.00 17.68 H new ATOM 2805 N GLU A 179 33.491 9.822 13.943 1.00 17.95 N ATOM 2806 CA GLU A 179 34.654 9.560 14.775 1.00 18.57 C ATOM 2807 C GLU A 179 34.227 9.563 16.234 1.00 19.13 C ATOM 2808 O GLU A 179 34.833 8.912 17.085 1.00 19.11 O ATOM 2809 CB GLU A 179 35.729 10.619 14.535 1.00 18.91 C ATOM 2810 CG GLU A 179 36.254 10.646 13.108 1.00 18.77 C ATOM 2811 CD GLU A 179 37.177 11.817 12.851 1.00 18.94 C ATOM 2812 OE1 GLU A 179 38.325 11.796 13.336 1.00 19.19 O ATOM 2813 OE2 GLU A 179 36.757 12.770 12.155 1.00 18.93 O ATOM 0 H GLU A 179 33.509 10.726 13.472 1.00 17.95 H new ATOM 0 HA GLU A 179 35.073 8.587 14.519 1.00 18.57 H new ATOM 0 HB2 GLU A 179 35.322 11.600 14.781 1.00 18.91 H new ATOM 0 HB3 GLU A 179 36.561 10.440 15.215 1.00 18.91 H new ATOM 0 HG2 GLU A 179 36.786 9.717 12.902 1.00 18.77 H new ATOM 0 HG3 GLU A 179 35.413 10.692 12.416 1.00 18.77 H new ATOM 2820 N HIS A 180 33.170 10.316 16.507 1.00 19.74 N ATOM 2821 CA HIS A 180 32.542 10.326 17.814 1.00 20.41 C ATOM 2822 C HIS A 180 31.052 10.046 17.665 1.00 20.84 C ATOM 2823 O HIS A 180 30.254 10.956 17.456 1.00 21.13 O ATOM 2824 CB HIS A 180 32.773 11.663 18.521 1.00 21.03 C ATOM 2825 CG HIS A 180 34.207 11.907 18.886 1.00 21.37 C ATOM 2826 ND1 HIS A 180 35.026 12.784 18.203 1.00 21.96 N ATOM 2827 CD2 HIS A 180 34.966 11.383 19.877 1.00 21.34 C ATOM 2828 CE1 HIS A 180 36.222 12.785 18.758 1.00 22.26 C ATOM 2829 NE2 HIS A 180 36.211 11.946 19.774 1.00 21.90 N ATOM 0 H HIS A 180 32.727 10.935 15.828 1.00 19.74 H new ATOM 0 HA HIS A 180 32.992 9.546 18.427 1.00 20.41 H new ATOM 0 HB2 HIS A 180 32.428 12.471 17.875 1.00 21.03 H new ATOM 0 HB3 HIS A 180 32.165 11.696 19.425 1.00 21.03 H new ATOM 0 HD2 HIS A 180 34.649 10.657 20.611 1.00 21.34 H new ATOM 0 HE1 HIS A 180 37.068 13.374 18.435 1.00 22.26 H new ATOM 0 HE2 HIS A 180 37.003 11.747 20.386 1.00 21.90 H new ATOM 2838 N HIS A 181 30.695 8.774 17.738 1.00 20.99 N ATOM 2839 CA HIS A 181 29.311 8.353 17.552 1.00 21.54 C ATOM 2840 C HIS A 181 28.553 8.360 18.872 1.00 22.31 C ATOM 2841 O HIS A 181 29.080 7.934 19.900 1.00 22.51 O ATOM 2842 CB HIS A 181 29.236 6.962 16.899 1.00 21.37 C ATOM 2843 CG HIS A 181 30.163 5.939 17.491 1.00 21.01 C ATOM 2844 ND1 HIS A 181 29.962 5.341 18.716 1.00 20.83 N ATOM 2845 CD2 HIS A 181 31.312 5.411 17.006 1.00 20.92 C ATOM 2846 CE1 HIS A 181 30.946 4.497 18.960 1.00 20.64 C ATOM 2847 NE2 HIS A 181 31.778 4.520 17.939 1.00 20.70 N ATOM 0 H HIS A 181 31.345 8.011 17.925 1.00 20.99 H new ATOM 0 HA HIS A 181 28.838 9.071 16.882 1.00 21.54 H new ATOM 0 HB2 HIS A 181 28.213 6.594 16.977 1.00 21.37 H new ATOM 0 HB3 HIS A 181 29.458 7.062 15.837 1.00 21.37 H new ATOM 0 HD2 HIS A 181 31.776 5.648 16.060 1.00 20.92 H new ATOM 0 HE1 HIS A 181 31.052 3.890 19.847 1.00 20.64 H new ATOM 0 HE2 HIS A 181 32.630 3.966 17.856 1.00 20.70 H new ATOM 2856 N HIS A 182 27.317 8.852 18.823 1.00 22.83 N ATOM 2857 CA HIS A 182 26.445 8.946 19.996 1.00 23.69 C ATOM 2858 C HIS A 182 27.083 9.786 21.097 1.00 24.16 C ATOM 2859 O HIS A 182 27.725 9.262 22.011 1.00 24.40 O ATOM 2860 CB HIS A 182 26.062 7.560 20.530 1.00 24.01 C ATOM 2861 CG HIS A 182 25.145 6.796 19.623 1.00 24.24 C ATOM 2862 ND1 HIS A 182 23.839 6.496 19.946 1.00 24.67 N ATOM 2863 CD2 HIS A 182 25.356 6.264 18.395 1.00 24.22 C ATOM 2864 CE1 HIS A 182 23.289 5.816 18.959 1.00 24.89 C ATOM 2865 NE2 HIS A 182 24.187 5.661 18.008 1.00 24.63 N ATOM 0 H HIS A 182 26.888 9.199 17.965 1.00 22.83 H new ATOM 0 HA HIS A 182 25.531 9.445 19.674 1.00 23.69 H new ATOM 0 HB2 HIS A 182 26.970 6.978 20.688 1.00 24.01 H new ATOM 0 HB3 HIS A 182 25.584 7.675 21.503 1.00 24.01 H new ATOM 0 HD2 HIS A 182 26.274 6.307 17.827 1.00 24.22 H new ATOM 0 HE1 HIS A 182 22.274 5.448 18.935 1.00 24.89 H new ATOM 0 HE2 HIS A 182 24.037 5.171 17.126 1.00 24.63 H new ATOM 2874 N HIS A 183 26.918 11.095 20.986 1.00 24.38 N ATOM 2875 CA HIS A 183 27.441 12.031 21.974 1.00 24.93 C ATOM 2876 C HIS A 183 26.593 12.003 23.240 1.00 25.44 C ATOM 2877 O HIS A 183 27.106 12.156 24.349 1.00 25.58 O ATOM 2878 CB HIS A 183 27.473 13.456 21.410 1.00 25.08 C ATOM 2879 CG HIS A 183 28.516 13.680 20.358 1.00 25.22 C ATOM 2880 ND1 HIS A 183 28.313 13.399 19.024 1.00 25.36 N ATOM 2881 CD2 HIS A 183 29.770 14.182 20.447 1.00 25.35 C ATOM 2882 CE1 HIS A 183 29.394 13.719 18.339 1.00 25.56 C ATOM 2883 NE2 HIS A 183 30.291 14.196 19.179 1.00 25.56 N ATOM 0 H HIS A 183 26.421 11.538 20.214 1.00 24.38 H new ATOM 0 HA HIS A 183 28.458 11.725 22.218 1.00 24.93 H new ATOM 0 HB2 HIS A 183 26.495 13.690 20.990 1.00 25.08 H new ATOM 0 HB3 HIS A 183 27.644 14.155 22.229 1.00 25.08 H new ATOM 0 HD2 HIS A 183 30.267 14.510 21.348 1.00 25.35 H new ATOM 0 HE1 HIS A 183 29.522 13.609 17.272 1.00 25.56 H new ATOM 0 HE2 HIS A 183 31.223 14.523 18.926 1.00 25.56 H new ATOM 2892 N HIS A 184 25.295 11.795 23.066 1.00 25.80 N ATOM 2893 CA HIS A 184 24.370 11.763 24.191 1.00 26.40 C ATOM 2894 C HIS A 184 23.462 10.545 24.102 1.00 26.96 C ATOM 2895 O HIS A 184 22.925 10.226 23.043 1.00 27.37 O ATOM 2896 CB HIS A 184 23.541 13.054 24.265 1.00 26.76 C ATOM 2897 CG HIS A 184 22.871 13.444 22.980 1.00 26.84 C ATOM 2898 ND1 HIS A 184 21.619 13.003 22.617 1.00 26.92 N ATOM 2899 CD2 HIS A 184 23.287 14.252 21.976 1.00 26.96 C ATOM 2900 CE1 HIS A 184 21.294 13.521 21.447 1.00 27.09 C ATOM 2901 NE2 HIS A 184 22.288 14.284 21.035 1.00 27.11 N ATOM 0 H HIS A 184 24.858 11.646 22.156 1.00 25.80 H new ATOM 0 HA HIS A 184 24.957 11.690 25.107 1.00 26.40 H new ATOM 0 HB2 HIS A 184 22.779 12.936 25.035 1.00 26.76 H new ATOM 0 HB3 HIS A 184 24.191 13.869 24.582 1.00 26.76 H new ATOM 0 HD2 HIS A 184 24.231 14.775 21.925 1.00 26.96 H new ATOM 0 HE1 HIS A 184 20.369 13.349 20.916 1.00 27.09 H new ATOM 0 HE2 HIS A 184 22.311 14.811 20.162 1.00 27.11 H new ATOM 2910 N HIS A 185 23.307 9.863 25.223 1.00 27.04 N ATOM 2911 CA HIS A 185 22.515 8.646 25.278 1.00 27.63 C ATOM 2912 C HIS A 185 21.118 8.953 25.791 1.00 27.78 C ATOM 2913 O HIS A 185 20.196 9.081 24.961 1.00 27.59 O ATOM 2914 CB HIS A 185 23.192 7.610 26.178 1.00 28.05 C ATOM 2915 CG HIS A 185 24.564 7.220 25.721 1.00 28.32 C ATOM 2916 ND1 HIS A 185 24.823 6.071 25.008 1.00 28.85 N ATOM 2917 CD2 HIS A 185 25.758 7.839 25.875 1.00 28.21 C ATOM 2918 CE1 HIS A 185 26.113 6.001 24.744 1.00 29.06 C ATOM 2919 NE2 HIS A 185 26.705 7.061 25.258 1.00 28.68 N ATOM 2920 OXT HIS A 185 20.953 9.098 27.019 1.00 28.16 O ATOM 0 H HIS A 185 23.723 10.134 26.114 1.00 27.04 H new ATOM 0 HA HIS A 185 22.438 8.235 24.271 1.00 27.63 H new ATOM 0 HB2 HIS A 185 23.255 8.008 27.191 1.00 28.05 H new ATOM 0 HB3 HIS A 185 22.567 6.718 26.224 1.00 28.05 H new ATOM 0 HD2 HIS A 185 25.933 8.773 26.389 1.00 28.21 H new ATOM 0 HE1 HIS A 185 26.603 5.208 24.198 1.00 29.06 H new ATOM 0 HE2 HIS A 185 27.702 7.268 25.206 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -16.925 -18.020 -3.474 1.00 3.23 C HETATM 2931 O ACE B1001 -17.469 -16.918 -3.568 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -17.049 -19.017 -4.607 1.00 4.05 C HETATM 0 H1 ACE B1001 -16.057 -19.261 -4.988 1.00 4.05 H new HETATM 0 H2 ACE B1001 -17.531 -19.924 -4.242 1.00 4.05 H new HETATM 0 H3 ACE B1001 -17.649 -18.585 -5.408 1.00 4.05 H new ATOM 2936 N GLY B1002 -16.223 -18.359 -2.402 1.00 2.68 N ATOM 2937 CA GLY B1002 -16.082 -17.444 -1.289 1.00 2.37 C ATOM 2938 C GLY B1002 -14.904 -16.513 -1.474 1.00 2.24 C ATOM 2939 O GLY B1002 -15.080 -15.309 -1.651 1.00 2.97 O ATOM 0 H GLY B1002 -15.748 -19.254 -2.284 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -16.995 -16.858 -1.182 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -15.956 -18.010 -0.366 1.00 2.37 H new ATOM 2943 N CYS B1003 -13.700 -17.083 -1.444 1.00 1.72 N ATOM 2944 CA CYS B1003 -12.468 -16.330 -1.657 1.00 1.60 C ATOM 2945 C CYS B1003 -12.280 -15.285 -0.578 1.00 1.42 C ATOM 2946 O CYS B1003 -12.681 -15.496 0.560 1.00 1.55 O ATOM 2947 CB CYS B1003 -12.474 -15.659 -3.026 1.00 1.63 C ATOM 2948 SG CYS B1003 -13.136 -16.702 -4.361 1.00 1.94 S ATOM 0 H CYS B1003 -13.553 -18.078 -1.272 1.00 1.72 H new ATOM 0 HA CYS B1003 -11.638 -17.035 -1.612 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -13.064 -14.744 -2.968 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -11.455 -15.366 -3.280 1.00 1.63 H new ATOM 2953 N VAL B1004 -11.635 -14.176 -0.966 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.407 -13.006 -0.120 1.00 1.19 C ATOM 2955 C VAL B1004 -11.053 -13.353 1.324 1.00 1.19 C ATOM 2956 O VAL B1004 -9.867 -13.459 1.630 1.00 1.63 O ATOM 2957 CB VAL B1004 -12.545 -11.985 -0.236 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -12.260 -11.073 -1.408 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -13.844 -12.672 -0.480 1.00 1.42 C ATOM 0 H VAL B1004 -11.248 -14.070 -1.904 1.00 1.37 H new ATOM 0 HA VAL B1004 -10.513 -12.520 -0.511 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.608 -11.420 0.694 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -13.062 -10.341 -1.503 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -11.314 -10.556 -1.245 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -12.198 -11.664 -2.322 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.639 -11.930 -0.559 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -13.786 -13.242 -1.407 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -14.059 -13.347 0.348 1.00 1.42 H new ATOM 2969 N GLY B1005 -12.055 -13.509 2.196 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.840 -14.115 3.513 1.00 1.07 C ATOM 2971 C GLY B1005 -10.777 -15.224 3.524 1.00 1.05 C ATOM 2972 O GLY B1005 -10.056 -15.385 4.508 1.00 1.20 O ATOM 0 H GLY B1005 -13.018 -13.225 2.014 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -11.545 -13.336 4.216 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.784 -14.527 3.871 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.691 -16.003 2.440 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.653 -17.031 2.305 1.00 1.08 C ATOM 2978 C ARG B1006 -8.576 -16.643 1.294 1.00 1.04 C ATOM 2979 O ARG B1006 -7.386 -16.824 1.540 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.249 -18.353 1.834 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.246 -18.970 2.781 1.00 1.24 C ATOM 2982 CD ARG B1006 -10.656 -19.192 4.167 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.679 -19.580 5.139 1.00 1.88 N ATOM 2984 CZ ARG B1006 -11.520 -19.520 6.461 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -10.357 -19.154 6.985 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -12.525 -19.836 7.266 1.00 2.87 N ATOM 0 H ARG B1006 -11.327 -15.941 1.645 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.210 -17.130 3.296 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -10.734 -18.194 0.871 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.438 -19.063 1.669 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -12.120 -18.323 2.859 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -11.589 -19.922 2.376 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -9.891 -19.967 4.116 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -10.164 -18.279 4.503 1.00 1.55 H new ATOM 0 HE ARG B1006 -12.572 -19.919 4.781 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -9.575 -18.916 6.375 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -10.245 -19.111 7.998 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -13.421 -20.125 6.874 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -12.402 -19.790 8.278 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.013 -16.130 0.149 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.152 -15.997 -1.025 1.00 1.05 C ATOM 3002 C ALA B1007 -6.920 -15.145 -0.766 1.00 1.02 C ATOM 3003 O ALA B1007 -5.797 -15.638 -0.827 1.00 1.31 O ATOM 3004 CB ALA B1007 -8.934 -15.424 -2.192 1.00 1.10 C ATOM 0 H ALA B1007 -9.966 -15.796 0.007 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.804 -17.001 -1.267 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.279 -15.331 -3.058 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.764 -16.087 -2.434 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.321 -14.441 -1.923 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.132 -13.876 -0.477 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.033 -12.930 -0.372 1.00 0.83 C ATOM 3012 C LEU B1008 -5.225 -13.202 0.868 1.00 0.78 C ATOM 3013 O LEU B1008 -4.016 -13.022 0.878 1.00 0.79 O ATOM 3014 CB LEU B1008 -6.543 -11.502 -0.347 1.00 0.90 C ATOM 3015 CG LEU B1008 -7.392 -11.100 -1.536 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -8.820 -11.597 -1.395 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -7.370 -9.616 -1.683 1.00 1.33 C ATOM 0 H LEU B1008 -8.054 -13.474 -0.310 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.399 -13.056 -1.250 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.127 -11.357 0.562 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -5.688 -10.829 -0.287 1.00 0.90 H new ATOM 0 HG LEU B1008 -6.973 -11.562 -2.430 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -9.400 -11.290 -2.266 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -8.821 -12.685 -1.323 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -9.266 -11.173 -0.495 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -7.981 -9.326 -2.538 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -7.769 -9.155 -0.779 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -6.345 -9.281 -1.839 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.916 -13.599 1.916 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.276 -14.134 3.106 1.00 0.78 C ATOM 3031 C ALA B1009 -4.145 -15.085 2.716 1.00 0.80 C ATOM 3032 O ALA B1009 -3.038 -15.031 3.251 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.284 -14.887 3.951 1.00 0.88 C ATOM 0 H ALA B1009 -6.934 -13.561 1.970 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.870 -13.300 3.679 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.791 -15.282 4.839 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.085 -14.211 4.251 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.702 -15.710 3.371 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.457 -15.945 1.754 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.535 -16.951 1.260 1.00 0.94 C ATOM 3041 C ALA B1010 -2.490 -16.347 0.320 1.00 0.92 C ATOM 3042 O ALA B1010 -1.316 -16.712 0.368 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.322 -18.039 0.548 1.00 1.03 C ATOM 0 H ALA B1010 -5.367 -15.961 1.293 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.998 -17.376 2.108 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.636 -18.799 0.174 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.024 -18.496 1.245 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.871 -17.604 -0.287 1.00 1.03 H new ATOM 3049 N PHE B1011 -2.916 -15.425 -0.538 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.014 -14.813 -1.512 1.00 0.93 C ATOM 3051 C PHE B1011 -1.078 -13.807 -0.846 1.00 0.85 C ATOM 3052 O PHE B1011 0.053 -13.609 -1.290 1.00 0.89 O ATOM 3053 CB PHE B1011 -2.802 -14.122 -2.630 1.00 0.97 C ATOM 3054 CG PHE B1011 -3.659 -15.057 -3.438 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.107 -16.164 -4.059 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.019 -14.830 -3.571 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.893 -17.025 -4.796 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.812 -15.687 -4.307 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.247 -16.787 -4.921 1.00 1.46 C ATOM 0 H PHE B1011 -3.877 -15.085 -0.580 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.414 -15.614 -1.944 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -3.436 -13.351 -2.192 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.102 -13.618 -3.297 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.048 -16.356 -3.965 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.465 -13.971 -3.092 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.449 -17.885 -5.275 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.871 -15.498 -4.402 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.863 -17.460 -5.498 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.557 -13.184 0.223 1.00 0.78 N ATOM 3070 CA GLY B1012 -0.774 -12.194 0.938 1.00 0.72 C ATOM 3071 C GLY B1012 0.365 -12.802 1.718 1.00 0.73 C ATOM 3072 O GLY B1012 1.239 -12.089 2.211 1.00 0.78 O ATOM 0 H GLY B1012 -2.485 -13.349 0.612 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.376 -11.470 0.227 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.424 -11.647 1.620 1.00 0.72 H new ATOM 3076 N ASP B1013 0.353 -14.119 1.838 1.00 0.78 N ATOM 3077 CA ASP B1013 1.453 -14.832 2.463 1.00 0.86 C ATOM 3078 C ASP B1013 2.654 -14.886 1.520 1.00 0.93 C ATOM 3079 O ASP B1013 3.788 -15.128 1.943 1.00 1.06 O ATOM 3080 CB ASP B1013 1.022 -16.246 2.858 1.00 0.98 C ATOM 3081 CG ASP B1013 2.110 -16.994 3.601 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.393 -16.646 4.767 1.00 1.48 O ATOM 3083 OD2 ASP B1013 2.680 -17.945 3.028 1.00 1.90 O ATOM 0 H ASP B1013 -0.407 -14.716 1.511 1.00 0.78 H new ATOM 0 HA ASP B1013 1.743 -14.296 3.367 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.131 -16.190 3.483 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.748 -16.803 1.962 1.00 0.98 H new ATOM 3088 N CYS B1014 2.412 -14.627 0.238 1.00 0.93 N ATOM 3089 CA CYS B1014 3.472 -14.675 -0.752 1.00 1.06 C ATOM 3090 C CYS B1014 4.188 -13.335 -0.824 1.00 1.08 C ATOM 3091 O CYS B1014 3.991 -12.554 -1.755 1.00 1.44 O ATOM 3092 CB CYS B1014 2.916 -15.046 -2.122 1.00 1.12 C ATOM 3093 SG CYS B1014 1.730 -16.425 -2.081 1.00 1.34 S ATOM 0 H CYS B1014 1.494 -14.383 -0.134 1.00 0.93 H new ATOM 0 HA CYS B1014 4.186 -15.442 -0.450 1.00 1.06 H new ATOM 0 HB2 CYS B1014 2.429 -14.172 -2.555 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.743 -15.309 -2.781 1.00 1.12 H new ATOM 3098 N ILE B1015 4.981 -13.062 0.198 1.00 1.14 N ATOM 3099 CA ILE B1015 5.805 -11.866 0.252 1.00 1.23 C ATOM 3100 C ILE B1015 7.217 -12.246 0.666 1.00 1.67 C ATOM 3101 O ILE B1015 7.883 -11.537 1.425 1.00 2.20 O ATOM 3102 CB ILE B1015 5.234 -10.821 1.233 1.00 1.32 C ATOM 3103 CG1 ILE B1015 4.781 -11.507 2.529 1.00 2.19 C ATOM 3104 CG2 ILE B1015 4.091 -10.051 0.583 1.00 1.41 C ATOM 3105 CD1 ILE B1015 4.224 -10.558 3.565 1.00 2.91 C ATOM 0 H ILE B1015 5.072 -13.665 1.016 1.00 1.14 H new ATOM 0 HA ILE B1015 5.814 -11.415 -0.740 1.00 1.23 H new ATOM 0 HB ILE B1015 6.016 -10.104 1.485 1.00 1.32 H new ATOM 0 HG12 ILE B1015 4.022 -12.251 2.288 1.00 2.19 H new ATOM 0 HG13 ILE B1015 5.627 -12.042 2.959 1.00 2.19 H new ATOM 0 HG21 ILE B1015 3.699 -9.318 1.288 1.00 1.41 H new ATOM 0 HG22 ILE B1015 4.457 -9.539 -0.307 1.00 1.41 H new ATOM 0 HG23 ILE B1015 3.298 -10.745 0.303 1.00 1.41 H new ATOM 0 HD11 ILE B1015 3.927 -11.120 4.450 1.00 2.91 H new ATOM 0 HD12 ILE B1015 4.987 -9.828 3.837 1.00 2.91 H new ATOM 0 HD13 ILE B1015 3.357 -10.040 3.155 1.00 2.91 H new ATOM 3117 N ASN B1016 7.672 -13.368 0.132 1.00 2.03 N ATOM 3118 CA ASN B1016 8.967 -13.926 0.490 1.00 2.59 C ATOM 3119 C ASN B1016 9.964 -13.718 -0.638 1.00 2.83 C ATOM 3120 O ASN B1016 11.168 -13.908 -0.465 1.00 3.29 O ATOM 3121 CB ASN B1016 8.829 -15.422 0.793 1.00 3.32 C ATOM 3122 CG ASN B1016 7.933 -15.707 1.986 1.00 3.73 C ATOM 3123 OD1 ASN B1016 7.985 -14.848 2.992 1.00 4.03 O flip ATOM 3124 ND2 ASN B1016 7.213 -16.705 2.008 1.00 4.29 N flip ATOM 0 H ASN B1016 7.158 -13.915 -0.558 1.00 2.03 H new ATOM 0 HA ASN B1016 9.332 -13.413 1.380 1.00 2.59 H new ATOM 0 HB2 ASN B1016 8.428 -15.929 -0.085 1.00 3.32 H new ATOM 0 HB3 ASN B1016 9.817 -15.842 0.980 1.00 3.32 H new ATOM 0 HD21 ASN B1016 7.201 -17.343 1.212 1.00 4.29 H new ATOM 0 HD22 ASN B1016 6.628 -16.894 2.822 1.00 4.29 H new ATOM 3131 N ARG B1017 9.449 -13.331 -1.795 1.00 3.18 N ATOM 3132 CA ARG B1017 10.267 -13.115 -2.976 1.00 3.90 C ATOM 3133 C ARG B1017 10.391 -11.623 -3.269 1.00 4.54 C ATOM 3134 O ARG B1017 9.556 -11.043 -3.966 1.00 5.06 O ATOM 3135 CB ARG B1017 9.644 -13.841 -4.171 1.00 4.55 C ATOM 3136 CG ARG B1017 10.477 -13.788 -5.440 1.00 5.10 C ATOM 3137 CD ARG B1017 9.772 -14.497 -6.584 1.00 5.97 C ATOM 3138 NE ARG B1017 9.433 -15.878 -6.244 1.00 6.51 N ATOM 3139 CZ ARG B1017 8.605 -16.643 -6.955 1.00 7.49 C ATOM 3140 NH1 ARG B1017 8.083 -16.195 -8.089 1.00 8.03 N ATOM 3141 NH2 ARG B1017 8.315 -17.867 -6.541 1.00 8.17 N ATOM 0 H ARG B1017 8.454 -13.158 -1.940 1.00 3.18 H new ATOM 0 HA ARG B1017 11.265 -13.514 -2.796 1.00 3.90 H new ATOM 0 HB2 ARG B1017 9.480 -14.884 -3.902 1.00 4.55 H new ATOM 0 HB3 ARG B1017 8.665 -13.407 -4.375 1.00 4.55 H new ATOM 0 HG2 ARG B1017 10.666 -12.750 -5.712 1.00 5.10 H new ATOM 0 HG3 ARG B1017 11.447 -14.252 -5.262 1.00 5.10 H new ATOM 0 HD2 ARG B1017 8.863 -13.953 -6.843 1.00 5.97 H new ATOM 0 HD3 ARG B1017 10.412 -14.487 -7.466 1.00 5.97 H new ATOM 0 HE ARG B1017 9.857 -16.282 -5.409 1.00 6.51 H new ATOM 0 HH11 ARG B1017 8.315 -15.259 -8.422 1.00 8.03 H new ATOM 0 HH12 ARG B1017 7.450 -16.786 -8.628 1.00 8.03 H new ATOM 0 HH21 ARG B1017 8.725 -18.224 -5.678 1.00 8.17 H new ATOM 0 HH22 ARG B1017 7.681 -18.453 -7.085 1.00 8.17 H new HETATM 3155 N NH2 B1018 11.422 -10.996 -2.723 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -12.348 -18.288 -3.970 1.00 1.93 C HETATM 3160 C2 33B B1100 -10.848 -18.130 -3.696 1.00 1.78 C HETATM 3161 O2 33B B1100 -10.216 -17.176 -4.149 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.312 -19.085 -2.934 1.00 1.51 N HETATM 3163 C4 33B B1100 -8.983 -19.217 -2.873 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.366 -19.440 -1.633 1.00 1.42 C HETATM 3165 C6 33B B1100 -8.190 -19.105 -4.029 1.00 1.47 C HETATM 3166 S6 33B B1100 -8.888 -18.944 -5.632 1.00 1.71 S HETATM 3167 C7 33B B1100 -6.976 -19.549 -1.556 1.00 1.43 C HETATM 3168 C8 33B B1100 -6.816 -19.202 -3.929 1.00 1.42 C HETATM 3169 C9 33B B1100 -6.209 -19.427 -2.709 1.00 1.39 C HETATM 3170 N10 33B B1100 -4.884 -19.443 -2.666 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.249 -19.682 -1.645 1.00 1.51 N HETATM 3172 C12 33B B1100 -2.928 -19.619 -1.740 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.101 -19.899 -0.656 1.00 1.75 C HETATM 3174 C14 33B B1100 -2.382 -19.261 -2.954 1.00 1.42 C HETATM 3175 C15 33B B1100 -0.719 -19.800 -0.802 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.012 -19.154 -3.104 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.177 -19.425 -2.033 1.00 1.60 C HETATM 3178 S17 33B B1100 -0.337 -18.601 -4.621 1.00 1.38 S HETATM 3179 N18 33B B1100 1.134 -19.282 -2.187 1.00 1.62 N HETATM 3180 C19 33B B1100 1.866 -18.980 -1.119 1.00 1.65 C HETATM 3181 O19 33B B1100 1.881 -19.634 -0.078 1.00 1.92 O HETATM 3182 C20 33B B1100 2.705 -17.716 -1.274 1.00 1.43 C HETATM 3183 O61 33B B1100 -8.760 -17.523 -6.099 1.00 2.13 O HETATM 3184 O62 33B B1100 -10.337 -19.333 -5.634 1.00 2.30 O HETATM 3185 O63 33B B1100 -8.147 -19.837 -6.592 1.00 2.30 O HETATM 3186 O71 33B B1100 0.750 -19.537 -5.070 1.00 2.03 O HETATM 3187 O72 33B B1100 0.241 -17.222 -4.446 1.00 1.73 O HETATM 3188 O73 33B B1100 -1.410 -18.546 -5.668 1.00 2.14 O HETATM 0 HO72 33B B1100 0.659 -17.152 -3.562 1.00 1.73 H new HETATM 0 HO62 33B B1100 -10.701 -19.233 -6.538 1.00 2.30 H new HETATM 0 HN18 33B B1100 1.569 -19.401 -3.102 1.00 1.62 H new HETATM 0 HN3 33B B1100 -10.914 -19.712 -2.400 1.00 1.51 H new HETATM 0 H8 33B B1100 -6.203 -19.100 -4.824 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.494 -19.729 -0.595 1.00 1.43 H new HETATM 0 H5 33B B1100 -8.971 -19.528 -0.731 1.00 1.42 H new HETATM 0 H15 33B B1100 -0.063 -20.015 0.042 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.036 -19.061 -3.803 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.532 -20.194 0.301 1.00 1.75 H new